7-(2-propyl-1,3-thiazole-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 795500
• Molecular Formular: C14H17N5O2S
• Molecular Mass: 319.38208
• Monoisotopic Mass: 319.11029581
• SMILES: c1(n2c(nc1)CN(C(=O)c1nc(sc1)CCC)CC2)C(=O)N
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C14H17N5O2S/c1-2-3-12-17-9(8-22-12)14(21)18-4-5-19-10(13(15)20)6-16-11(19)7-18/h6,8H,2-5,7H2,1H3,(H2,15,20)
• InChIKey: YOLURIYSDYXIJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-propyl-1,3-thiazole-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(2-propyl-1,3-thiazole-4-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.05749084
• LogD (pH = 7.4): 0.08563954
• Log P: 0.08601268
• Molar Refractivity: 82.2128 cm^3
• Polarizability: 30.562761 Å^3
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.53
• LOG S: -1.98
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 4