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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54689175Generated: November 2, 2026

7-Hydroxy-2-(3-trifluoromethyl-phenylamino)-4H-thiazolo[4,5-b]pyridin-5-one

7-hydroxy-2-[3-(trifluoromethyl)anilino][1,3]thiazolo[4,5-b]pyridin-5(4H)-one · Thiazolo[4,5-b]pyridin-5(4H)-one, 7-hydroxy-2-[[3-(trifluoromethyl)phenyl]amino]-

https://huagongshe.com/en/chemical/54689175

7-Hydroxy-2-(3-trifluoromethyl-phenylamino)-4H-thiazolo[4,5-b]pyridin-5-one molecular structure

Identifiers & Physical Properties

CAS No.340812-47-7
Molecular formulaC13H8F3N3O2S
Average molar mass327.28 g/mol
Monoisotopic mass327.02893217 g/mol
SMILESO=c1cc(O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2[nH]1
InChIKeyJMFKJLOBBFTGOF-UHFFFAOYSA-N
PubChem CID54689175
ChEMBLCHEMBL1336673
DTXSIDDTXSID401326601

Chemical & Physical Properties

XLogP2.9
Topological polar surface area102
Hydrogen bond donors3
Hydrogen bond acceptors8
Rotatable bonds2
Heavy atoms22
Formal charge0
Complexity486
Solubility36.9 [ug/mL] (The mean of the results at pH 7.4)
Density1.641±0.06 g/cm3(Predicted)
pKa (acidity coefficient)4.50±1.00(Predicted)