Basic information
- CAS
486413-81-4- Standard SMILES
Nc1nc(Nc2ccc(C(=O)O)cc2)sc1C(=O)c1c(F)cccc1F- InChIKey
SBVLLXNWTTYJFE-UHFFFAOYSA-N- Molecular formula
- C17H11F2N3O3S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.04891872
Names & identifiers
- Preferred name
- 4-[4-Amino-5-(2,6-difluoro-benzoyl)-thiazol-2-ylamino]-benzoic Acid
- IUPAC
- 4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzoic acid
Names & synonyms
486413-81-44-[4-Amino-5-(2,6-difluoro-benzoyl)-thiazol-2-ylamino]-benzoic AcidSCHEMBL6361686DTXSID40460366SBVLLXNWTTYJFE-UHFFFAOYSA-N4-{[4-AMINO-5-(2,6-DIFLUOROBENZOYL)-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID
Database identifiers
- CAS
486413-81-4- PubChem CID
- 11257352
- DTXSID
DTXSID40460366
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
7 records
Compound notes
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