{2-[4-Methyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid
Basic information
- CAS
918342-00-4- Standard SMILES
Cc1ccc(Nc2nc(CC(=O)O)cs2)cc1C(F)(F)F- InChIKey
UHWCXFALDAVALS-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O2S
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.04933326
Names & identifiers
- Preferred name
- {2-[4-Methyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid
- IUPAC
- 2-[2-[4-methyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
{2-[4-Methyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}acetic acid918342-00-4SCHEMBL14069952DTXSID60733004UHWCXFALDAVALS-UHFFFAOYSA-NAKOS019140647
Database identifiers
- CAS
918342-00-4- PubChem CID
- 59802442
- DTXSID
DTXSID60733004
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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