2-(2-methyl-1,3-thiazol-4-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide

• ChemBase ID: 708921
• Molecular Formular: C15H16N4OS
• Molecular Mass: 300.37874
• Monoisotopic Mass: 300.10448215
• SMILES: c12n(c(cn1)CNC(=O)Cc1nc(sc1)C)cccc2C
• Canonical SMILES: O=C(Cc1csc(n1)C)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C15H16N4OS/c1-10-4-3-5-19-13(8-17-15(10)19)7-16-14(20)6-12-9-21-11(2)18-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)
• InChIKey: UUDYXQQDDDWLSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)acetamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.882905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37555033
• LogD (pH = 7.4): 1.0955343
• Log P: 1.1396346
• Molar Refractivity: 82.7713 cm^3
• Polarizability: 30.926382 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.12
• LOG S: -2.35
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4