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

• ChemBase ID: 862645
• Molecular Formular: C13H16N4OS
• Molecular Mass: 276.35734
• Monoisotopic Mass: 276.10448215
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(nc(s1)C)C
• Canonical SMILES: Cc1nc(c(s1)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C13H16N4OS/c1-8-12(19-9(2)15-8)13(18)16-11-7-14-10-5-3-4-6-17(10)11/h7H,3-6H2,1-2H3,(H,16,18)
• InChIKey: MACPSAZVKXHBKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.050027
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.44125402
• LogD (pH = 7.4): 1.0719795
• Log P: 1.0999311
• Molar Refractivity: 74.658 cm^3
• Polarizability: 27.599537 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.15
• LOG S: -2.2
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2