Classification Term: 406
Benzothiazoles (ontology term: CHEMONTID:0000311)
Organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom)." []
found 47 associated metabolites at class metabolite taxonomy ontology rank level.
Ancestor: Organoheterocyclic compounds
Child Taxonomies: Imidazo[2,1-b]benzothiazoles
Saccharin
Saccharin, ammonium salt is used as a food additive [EAFUS] (EAFUS: Everything Added to Food in the United States). Saccharin belongs to the family of aromatic homomonocyclic compounds. These are aromatic compounds containing only one ring, which is homocyclic. Widely-used sweetening agent. All salts intensely sweet. Permitted in foods at levels of 80-1200 ppm in EU D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; INTERNAL_ID 8670 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2(3H)-Benzothiazolethione
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3898; ORIGINAL_PRECURSOR_SCAN_NO 3894 CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3896; ORIGINAL_PRECURSOR_SCAN_NO 3892 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3929; ORIGINAL_PRECURSOR_SCAN_NO 3926 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3935; ORIGINAL_PRECURSOR_SCAN_NO 3932 ORIGINAL_ACQUISITION_NO 3935; CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 3932 CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3886; ORIGINAL_PRECURSOR_SCAN_NO 3882 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3928; ORIGINAL_PRECURSOR_SCAN_NO 3923 CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3864; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3899; ORIGINAL_PRECURSOR_SCAN_NO 3896 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3930; ORIGINAL_PRECURSOR_SCAN_NO 3925 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3996 CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3878; ORIGINAL_PRECURSOR_SCAN_NO 3874 CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3918; ORIGINAL_PRECURSOR_SCAN_NO 3914 2(3H)-Benzothiazolethione is found in fruits. 2(3H)-Benzothiazolethione is a constituent of cranberries D000890 - Anti-Infective Agents > D000935 - Antifungal Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3190 CONFIDENCE standard compound; INTERNAL_ID 8206 CONFIDENCE standard compound; INTERNAL_ID 8785 2-Mercaptobenzothiazole is an endogenous metabolite. 2-Mercaptobenzothiazole is an endogenous metabolite.
2-(Methylthio)benzothiazole
2-(methylthio)benzothiazole, also known as mtbt, is a member of the class of compounds known as benzothiazoles. Benzothiazoles are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 2-(methylthio)benzothiazole is practically insoluble (in water) and a moderately basic compound (based on its pKa). 2-(methylthio)benzothiazole can be found in guava, which makes 2-(methylthio)benzothiazole a potential biomarker for the consumption of this food product. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3646 CONFIDENCE standard compound; INTERNAL_ID 4198 CONFIDENCE standard compound; INTERNAL_ID 4058 CONFIDENCE standard compound; INTERNAL_ID 8817 KEIO_ID M150
Riluzole
C8H5F3N2OS (234.00746759999998)
Riluzole is only found in individuals that have used or taken this drug. It is a glutamate antagonist (receptors, glutamate) used as an anticonvulsant (anticonvulsants) and to prolong the survival of patients with amyotrophic lateral sclerosis. [PubChem]The mode of action of riluzole is unknown. Its pharmacological properties include the following, some of which may be related to its effect: 1) an inhibitory effect on glutamate release (activation of glutamate reuptake), 2) inactivation of voltage-dependent sodium channels, and 3) ability to interfere with intracellular events that follow transmitter binding at excitatory amino acid receptors. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents N - Nervous system Riluzole is an anticonvulsant agent and belongs to the family of use-dependent Na+ channel blocker which can also inhibit GABA uptake with an IC50 of 43 μM.
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
1,2-Benzisothiazol-3(2H)-one
Industrial biocide. 1,2-Benzisothiazol-3(2H)-one is present in can-end cement D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Industrial biocide. Present in can-end cements D000890 - Anti-Infective Agents D004202 - Disinfectants
Benzothiazole
Benzothiazole, also known as BT or benzosulfonazole, belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). This ring is a potential component in nonlinear optics (NLO). The nine atoms of the bicycle and the attached substituents are coplanar. Although the parent compound, benzothiazole is not widely used, many of its derivatives are found in commercial products or in nature. Benzothiazole is a coffee, cooked, and gasoline tasting compound. benzothiazole is found, on average, in the highest concentration in safflowers. benzothiazole has also been detected, but not quantified, in several different foods, such as common persimmons, fruits, guava, potato, and tea. This could make benzothiazole a potential biomarker for the consumption of these foods. Firefly luciferin can be considered a derivative of benzothiazole. The compound is used also used as an insecticide and food flavoring agent. Some drugs contain this group, examples being riluzole and pramipexole. It is colorless, slightly viscous liquid. It is a thermally stable electron-withdrawing moiety with numerous applications in dyes such as thioflavin. Benzothiazole is an aromatic heterocyclic compound with the chemical formula C7H5NS. Isolated from cranberries Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1].
2-Methylbenzothiazole
Known as an aroma constituent of tea leaves. 2-Methylbenzothiazole is found in tea. 2-Methylbenzothiazole is found in tea. Known as an aroma constituent of tea leaves.
Ethoxzolamide
Ethoxzolamide is only found in individuals that have used or taken this drug. It is a carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. [PubChem]Ethoxzolamide binds and inhibits carbonic anhydrase I. Carbonic anhydrase plays an essential role in facilitating the transport of carbon dioxide and protons in the intracellular space, across biological membranes and in the layers of the extracellular space. The inhibition of this enzyme effects the balance of applicable membrane equilibrium systems. This reduction in carbonic anhydrase also reduces the intraocular pressure in the eye by decreasing aqueous humor. D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
2-Butylbenzothiazole
2-Butylbenzothiazole is found in nuts. 2-Butylbenzothiazole is a flavour component in roasted coconut and cashew nuts. Flavour component in roasted coconut and cashew nuts. 2-Butylbenzothiazole is found in nuts.
2-Hexylbenzothiazole
2-Hexylbenzothiazole is found in nuts. 2-Hexylbenzothiazole is a volatile flavour component of roasted peanuts. Volatile flavour component of roasted peanuts. 2-Hexylbenzothiazole is found in nuts.
2-Heptylbenzothiazole
2-Heptylbenzothiazole is found in nuts. 2-Heptylbenzothiazole is a volatile flavour component of roasted peanuts. Volatile flavour component of roasted peanuts. 2-Heptylbenzothiazole is found in nuts.
2-Ethylbenzothiazole
Claimed food uses not well documented. Claimed food uses not well documented
(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
(2R)-1-[4-[1,3-Benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol
2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
C14H11FN2S (258.06269380000003)
3-Ethyl-2-[(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
4-[2-[(Benzothiazol-2-yl)thio]ethyl]-1H-imidazole
4-(1,3-Benzothiazol-2-yl)-2-methylaniline
C14H12N2S (240.07211519999998)
[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
C21H15N3O3S3 (453.02755200000007)
2-Amino-6-nitrobenzothiazole
C7H5N3O2S (195.01024700000002)
1-(1,3-Benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
Fostedil
C18H20NO3PS (361.09014600000006)
n-methyl-2-(4'-methylaminophenyl)-6-hydroxybenzothiazole
Sabeluzole
C22H26FN3O2S (415.17296680000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
7-Aminobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
C7H6N2O3S (198.00991259999998)
(4R)-4-Hydroxy-4-[6-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]butanenitrile
C16H17N3O4S (347.09397220000005)
Sibenadet
Talarozole
C21H23N5S (377.16740780000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Solantal
C15H18ClN3O3S (355.0757348000001)
Trombodipine
Saccharin sodium
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents Sweetener