N-(1,1-dioxo-2,3-dihydro-1λ6-thiophen-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 422718
• Molecular Formular: C13H13N3O3S
• Molecular Mass: 291.32562
• Monoisotopic Mass: 291.06776229
• SMILES: n1c(cn2c1c(ccc2)C)C(=O)NC1CS(=O)(=O)C=C1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)NC1C=CS(=O)(=O)C1
• InChI: InChI=1S/C13H13N3O3S/c1-9-3-2-5-16-7-11(15-12(9)16)13(17)14-10-4-6-20(18,19)8-10/h2-7,10H,8H2,1H3,(H,14,17)
• InChIKey: SPMKVQASINUALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-2,3-dihydro-1λ^6-thiophen-3-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-(1,1-dioxido-2,3-dihydro-3-thienyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.674287
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.17875428
• LogD (pH = 7.4): -0.17071767
• Log P: -0.17061412
• Molar Refractivity: 75.0418 cm^3
• Polarizability: 28.527832 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.08
• LOG S: -2.7
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 2