Basic information
- CAS
918341-98-7- Standard SMILES
O=C(O)Cc1csc(Nc2ccc(F)c(C(F)(F)F)c2)n1- InChIKey
CTRWRTWMQYJACV-UHFFFAOYSA-N- Molecular formula
- C12H8F4N2O2S
- Average molar mass
- 320.26 g/mol
- Monoisotopic mass
- 320.02426132
Names & identifiers
- Preferred name
- {2-[4-Fluoro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid
- IUPAC
- 2-[2-[4-fluoro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
{2-[4-Fluoro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid918341-98-7SCHEMBL14069949DTXSID80733001CTRWRTWMQYJACV-UHFFFAOYSA-NAKOS019140309
Database identifiers
- CAS
918341-98-7- PubChem CID
- 59802424
- DTXSID
DTXSID80733001
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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