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

• ChemBase ID: 440524
• Molecular Formular: C14H16N4O2S
• Molecular Mass: 304.36744
• Monoisotopic Mass: 304.09939677
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(NC(=O)C)ccs1
• Canonical SMILES: CC(=O)Nc1ccsc1C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H16N4O2S/c1-9(19)16-10-5-7-21-13(10)14(20)17-12-8-15-11-4-2-3-6-18(11)12/h5,7-8H,2-4,6H2,1H3,(H,16,19)(H,17,20)
• InChIKey: TXQUWTVHBQZOTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.484701
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5460345
• LogD (pH = 7.4): 1.1766642
• Log P: 1.2048558
• Molar Refractivity: 82.3862 cm^3
• Polarizability: 29.86105 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.4
• LOG S: -2.62
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3