Basic information
- Standard SMILES
CCOC(=O)c1ncc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1O- InChIKey
MWGBVBIQOOTSHA-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2O3S
- Average molar mass
- 368.3 g/mol
Names & identifiers
- Preferred name
- 7-Hydroxy-2-(4-trifluoromethyl-phenyl)-thiazolo[4,5-c]pyridine-6-carboxylic acid ethyl ester
- IUPAC
- ethyl 7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
Names & synonyms
7-Hydroxy-2-(4-trifluoromethyl-phenyl)-thiazolo[4,5-c]pyridine-6-carboxylic acid ethyl esterSCHEMBL2880970
Database identifiers
- PubChem CID
- 68426422
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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