CHEBI:166573 - Thiazopyr

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ChEBI Name Thiazopyr
ChEBI ID CHEBI:166573
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H17F5N2O2S
Net Charge 0
Average Mass 396.380
Monoisotopic Mass 396.09309
InChI InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3
InChIKey YIJZJEYQBAAWRJ-UHFFFAOYSA-N
SMILES S1C(=NCC1)C2=C(CC(C)C)C(=C(N=C2C(F)(F)F)C(F)F)C(OC)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Thiazopyr (CHEBI:166573) is a aromatic carboxylic acid (CHEBI:33859)
Thiazopyr (CHEBI:166573) is a pyridines (CHEBI:26421)
IUPAC Name
methyl 2-(diluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(triluoromethyl)pyridine-3-carboxylate
Manual Xrefs Databases
82873 ChemSpider
HMDB0037058 HMDB
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Registry Number Type Source
117718-60-2 CAS Registry Number ChemIDplus