1-[5-(2-Aminopyridin-4-yl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoate
Basic information
- CAS
365430-88-2- Standard SMILES
CC(OC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)c(-c2ccnc(N)c2)s1- InChIKey
GLCTWHCADHDYLG-UHFFFAOYSA-N- Molecular formula
- C23H18ClN3O2S
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.0808257
Names & identifiers
- Preferred name
- 1-[5-(2-Aminopyridin-4-yl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoate
- IUPAC
- 1-[5-(2-amino-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoate
Names & synonyms
365430-88-21-[5-(2-aminopyridin-4-yl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethyl benzoateSCHEMBL3896506DTXSID00699716
Database identifiers
- CAS
365430-88-2- PubChem CID
- 53428056
- DTXSID
DTXSID00699716
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
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Compound notes
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