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

• ChemBase ID: 331503
• Molecular Formular: C12H15N5OS
• Molecular Mass: 277.3454
• Monoisotopic Mass: 277.09973113
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1nc(sc1)NC
• Canonical SMILES: CNc1scc(n1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H15N5OS/c1-13-12-15-8(7-19-12)11(18)16-10-6-14-9-4-2-3-5-17(9)10/h6-7H,2-5H2,1H3,(H,13,15)(H,16,18)
• InChIKey: MYJQGGAEUKXWQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.606458
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.60167295
• LogD (pH = 7.4): 1.2282718
• Log P: 1.2559353
• Molar Refractivity: 75.1368 cm^3
• Polarizability: 27.078623 Å^3
• Polar Surface Area: 71.84 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: 0.17
• LOG S: -2.68
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 3