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CHEBI:166573 - Thiazopyr

Default Structure
ChEBI IDCHEBI:166573
ChEBI NameThiazopyr
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17F5N2O2S
Net Charge0
Average Mass396.381
Monoisotopic Mass396.09309
SMILESCOC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C
InChIInChI=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
InChIKeyYIJZJEYQBAAWRJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
82873ChemSpider
HMDB0037058HMDB
Registry NumbersSources
CAS:117718-60-2ChemIDplus