Basic information
- CAS
918341-96-5- Standard SMILES
O=C(O)Cc1csc(Nc2ccc(Br)c(F)c2)n1- InChIKey
ATAPYPCZZFOUDF-UHFFFAOYSA-N- Molecular formula
- C11H8BrFN2O2S
- Average molar mass
- 331.16 g/mol
- Monoisotopic mass
- 329.94739
Names & identifiers
- Preferred name
- [2-(4-Bromo-3-fluoro-phenylamino)-thiazol-4-yl]-acetic acid
- IUPAC
- 2-[2-(4-bromo-3-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
Names & synonyms
918341-96-5[2-(4-bromo-3-fluoro-phenylamino)-thiazol-4-yl]-acetic acidSCHEMBL14069942DTXSID20733000[2-(4-Bromo-3-fluoroanilino)-1,3-thiazol-4-yl]acetic acidAKOS019142354DB-362520
Database identifiers
- CAS
918341-96-5- PubChem CID
- 59802419
- DTXSID
DTXSID20733000
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…