Basic information
- Standard SMILES
Cc1nc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)s1- InChIKey
CBFATARVBYPBTO-UHFFFAOYSA-N- Molecular formula
- C12H8F3NO2S
- Average molar mass
- 287.26 g/mol
- Monoisotopic mass
- 287.02278416
Names & identifiers
- Preferred name
- 2-Methyl-5-(4-trifluoromethylphenyl)thiazole-4-carboxylic acid
- IUPAC
- 2-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Names & synonyms
2-methyl-5-(4-trifluoromethylphenyl)thiazole-4-carboxylic acid1007874-09-0SCHEMBL2692172-methyl-5-(4-trifluoromethyl-phenyl)-thiazole-4-carboxylic acid2-methyl-5-(4-trifluoromethyl-phenyl)thiazole-4-carboxylic acidDB-338586
Database identifiers
- PubChem CID
- 57437204
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
4 records
Compound notes
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