N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 553137
• Molecular Formular: C15H13N5OS
• Molecular Mass: 311.36162
• Monoisotopic Mass: 311.08408106
• SMILES: c12n(cc(n1)CNC(=O)c1cn3c(ncc3)cc1)c(cs2)C
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCc1nc2n(c1)c(cs2)C
• InChI: InChI=1S/C15H13N5OS/c1-10-9-22-15-18-12(8-20(10)15)6-17-14(21)11-2-3-13-16-4-5-19(13)7-11/h2-5,7-9H,6H2,1H3,(H,17,21)
• InChIKey: WYMCXIPBSIOWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-({3-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.063422
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.007775364
• LogD (pH = 7.4): 0.63429505
• Log P: 0.65937704
• Molar Refractivity: 96.606 cm^3
• Polarizability: 31.000977 Å^3
• Polar Surface Area: 63.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.65
• LOG S: -3.73
• Polar Surface Area: 63.7 Å^2
• Rotatable Bonds: 3