2-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1,3-thiazole-4-carboxamide

• ChemBase ID: 865639
• Molecular Formular: C18H18N4OS
• Molecular Mass: 338.42672
• Monoisotopic Mass: 338.12013222
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1nc(sc1)Cc1ccccc1
• Canonical SMILES: O=C(c1csc(n1)Cc1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H18N4OS/c23-18(21-16-11-19-15-8-4-5-9-22(15)16)14-12-24-17(20-14)10-13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,21,23)
• InChIKey: VEBYKWTYSMKVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1,3-thiazole-4-carboxamide
• Synonyms: 2-benzyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.493451
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4019737
• LogD (pH = 7.4): 3.0285354
• Log P: 3.0563116
• Molar Refractivity: 94.6323 cm^3
• Polarizability: 35.38905 Å^3
• Polar Surface Area: 59.81 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: 2.4
• LOG S: -3.72
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4