Basic information
- Standard SMILES
CCOC(=O)c1nc(C(F)(F)F)sc1-c1ccccc1- InChIKey
KNVDFXDELCHZAH-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO2S
- Average molar mass
- 301.29 g/mol
Names & identifiers
- Preferred name
- 4-Thiazolecarboxylic acid, 5-phenyl-2-(trifluoromethyl)-, ethyl ester
- IUPAC
- ethyl 5-phenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
Names & synonyms
4-Thiazolecarboxylic acid, 5-phenyl-2-(trifluoromethyl)-, ethyl esterSCHEMBL3320532DB-129383ethyl 5-phenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate5-phenyl-2-(trifluoromethyl)-4-thiazolecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59291348
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
1 records
Compound notes
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