Basic information
- CAS
918341-65-8- Standard SMILES
O=C(O)Cc1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1- InChIKey
LVQKAOCUPFHZBP-UHFFFAOYSA-N- Molecular formula
- C12H8ClF3N2O2S
- Average molar mass
- 336.72 g/mol
- Monoisotopic mass
- 335.9947109
Names & identifiers
- Preferred name
- {2-[4-Chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid
- IUPAC
- 2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
918341-65-8{2-[4-Chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acidSCHEMBL4363742DTXSID40733002LVQKAOCUPFHZBP-UHFFFAOYSA-NAKOS019140327
Database identifiers
- CAS
918341-65-8- PubChem CID
- 59802428
- DTXSID
DTXSID40733002
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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