Bils-179BS
Basic information
- CAS
193346-73-5- Standard SMILES
C[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(-c2csc(N)n2)cc1)C(=O)c1ccncc1- InChIKey
ADBGTTMOQLVHOF-KRWDZBQOSA-N- Molecular formula
- C25H23N5O2S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.15724617
Names & identifiers
- Preferred name
- Bils-179BS
- IUPAC
- N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
Names & synonyms
BILS-179BSUNII-KE7I395I4QKE7I395I4Q193346-73-54-Pyridinecarboxamide, N-(2-((4-(2-amino-4-thiazolyl)phenyl)amino)-2-oxoethyl)-N-((1S)-1-phenylethyl)-4-Pyridinecarboxamide, N-(2-((4-(2-amino-4-thiazolyl)phenyl)amino)-2-oxoethyl)-N-(1-phenylethyl)-, (S)-4-Pyridinecarboxamide, N-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-RefChem:199876N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-N-[(1S)-1-phenylethyl]pyridine-4-carboxamideSCHEMBL16468911N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]pyridine-4-carboxamideQ27282213
Database identifiers
- CAS
193346-73-5- PubChem CID
- 5483052
- UNII
- KE7I395I4Q
- Nikkaji
- J1.735.151F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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