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

• ChemBase ID: 700607
• Molecular Formular: C18H17N5O2S
• Molecular Mass: 367.42488
• Monoisotopic Mass: 367.11029581
• SMILES: c1(n2c(nc1)CN(C(=O)c1nc(sc1)Cc1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)c1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C18H17N5O2S/c19-17(24)14-9-20-15-10-22(6-7-23(14)15)18(25)13-11-26-16(21-13)8-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H2,19,24)
• InChIKey: MXZCJNTZYPNAAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-benzyl-1,3-thiazole-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(2-benzyl-1,3-thiazole-4-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(2-benzyl-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): 0.74672717
• LogD (pH = 7.4): 0.77487487
• Log P: 0.775248
• Molar Refractivity: 97.7068 cm^3
• Polarizability: 36.411343 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: 1.04
• LOG S: -2.77
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 4