3-hydroxy-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

• ChemBase ID: 272615
• Molecular Formular: C9H7N3O2S
• Molecular Mass: 221.23578
• Monoisotopic Mass: 221.02589748
• SMILES: C(=O)(Nc1nccs1)c1ncccc1O
• Canonical SMILES: O=C(c1ncccc1O)Nc1nccs1
• InChI: InChI=1S/C9H7N3O2S/c13-6-2-1-3-10-7(6)8(14)12-9-11-4-5-15-9/h1-5,13H,(H,11,12,14)
• InChIKey: WSWKSTZDYDQRIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
• Synonyms: 3-hydroxy-N-1,3-thiazol-2-ylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD12808008
• PubChem SID: 164328525
• PubChem CID: 11770018

CALCULATED PROPERTIES

• Acid pKa: 7.193279
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2642848
• LogD (pH = 7.4): 0.8676603
• Log P: 1.272786
• Molar Refractivity: 55.7252 cm^3
• Polarizability: 20.53823 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.239

Product Information

• Purity: 95%