Basic information
- CAS
66063-69-2- Standard SMILES
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccnc1- InChIKey
ZESKMBWNUBIXPJ-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3OS
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.02331062
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
- IUPAC
- N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
Names & synonyms
66063-69-2F 16853-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-N(p-Chlorophenyl-4 thiazolyl-2) nicotinamide [French]N-(4-(4-Chlorophenyl)-2-thiazolyl)-3-pyridinecarboxamideN(p-Chlorophenyl-4 thiazolyl-2) nicotinamideDTXSID90216259RefChem:282137DTXCID40138750N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamideN-(4-(4-CHLOROPHENYL)-THIAZOL-2-YL)NICOTINAMIDEMLS000529261
Show more names
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-nicotinamideCHEMBL1602668SCHEMBL11499202ZESKMBWNUBIXPJ-UHFFFAOYSA-NHMS2347J17STK698557AKOS000612766NCGC00245518-01
Database identifiers
- CAS
66063-69-2- PubChem CID
- 684716
- DTXSID
DTXSID90216259- ChEMBL
CHEMBL1602668
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
1 records
Compound notes
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