Basic information
- CAS
5142-52-9- Standard SMILES
Cc1csc(NC(=O)c2cccnc2)n1- InChIKey
YSOCMISXIIJOAB-UHFFFAOYSA-N- Molecular formula
- C10H9N3OS
- Average molar mass
- 219.27 g/mol
- Monoisotopic mass
- 219.04663309
Names & identifiers
- Preferred name
- N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
- IUPAC
- N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
Names & synonyms
N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide5142-52-9N-(4-Methyl-thiazol-2-yl)-nicotinamideCBMicro_009261Cambridge id 5142529Oprea1_523258Oprea1_594961MLS001209696CHEMBL211618DTXSID40965740HMS1673D09HMS2821C11
Show more names
KUC106890NSMSF0003726AKOS000525483KSC-15-110SMR000505101BIM-0009130.P001N-(4-methyl-1,3-thiazol-2-yl)nicotinamideST50000478
Database identifiers
- CAS
5142-52-9- PubChem CID
- 786372
- DTXSID
DTXSID40965740- ChEMBL
CHEMBL211618
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Solubility32.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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