N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 582350
• Molecular Formular: C17H14N4OS2
• Molecular Mass: 354.44926
• Monoisotopic Mass: 354.06090309
• SMILES: c1(nc(sc1)c1sccc1)C(=O)NCc1nc2n(c1)cc(cc2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNC(=O)c1csc(n1)c1cccs1
• InChI: InChI=1S/C17H14N4OS2/c1-11-4-5-15-19-12(9-21(15)8-11)7-18-16(22)13-10-24-17(20-13)14-3-2-6-23-14/h2-6,8-10H,7H2,1H3,(H,18,22)
• InChIKey: TWAOFGXHVVMZMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -4.48
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 3.16

JChem

• Molar Refractivity: 105.871 cm^3
• Polarizability: 36.07742 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.5331135
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2618096
• LogD (pH = 7.4): 2.972541
• Log P: 2.9997935