N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 386691
• Molecular Formular: C15H17N5OS
• Molecular Mass: 315.39338
• Monoisotopic Mass: 315.11538119
• SMILES: c12nc(cn1cccn2)C(NC(=O)Cc1nc(sc1)C)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)Cc1csc(n1)C
• InChI: InChI=1S/C15H17N5OS/c1-3-12(13-8-20-6-4-5-16-15(20)19-13)18-14(21)7-11-9-22-10(2)17-11/h4-6,8-9,12H,3,7H2,1-2H3,(H,18,21)
• InChIKey: YZCMKCXRCLMOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.90947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9243495
• LogD (pH = 7.4): 0.9266851
• Log P: 0.92671615
• Molar Refractivity: 85.2015 cm^3
• Polarizability: 31.98408 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.31
• LOG S: -3.08
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 5