N-[1-(1,3-thiazol-5-yl)propan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 820980
• Molecular Formular: C14H14N4OS
• Molecular Mass: 286.35216
• Monoisotopic Mass: 286.08883209
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC(Cc1scnc1)C
• Canonical SMILES: CC(NC(=O)c1ccc2n(c1)ccn2)Cc1cncs1
• InChI: InChI=1S/C14H14N4OS/c1-10(6-12-7-15-9-20-12)17-14(19)11-2-3-13-16-4-5-18(13)8-11/h2-5,7-10H,6H2,1H3,(H,17,19)
• InChIKey: QRRZNULVTZQDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1,3-thiazol-5-yl)propan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(1,3-thiazol-5-yl)propan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[1-methyl-2-(1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.376591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42278954
• LogD (pH = 7.4): 1.0299284
• Log P: 1.0548073
• Molar Refractivity: 78.8008 cm^3
• Polarizability: 29.042103 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.62
• LOG S: -1.82
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4