N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 341205
• Molecular Formular: C18H19N5OS
• Molecular Mass: 353.44136
• Monoisotopic Mass: 353.13103125
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1nc(sc1)Cc1ccccc1
• Canonical SMILES: O=C(c1cn2c(n1)CNCC2)NCc1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C18H19N5OS/c24-18(15-11-23-7-6-19-10-16(23)22-15)20-9-14-12-25-17(21-14)8-13-4-2-1-3-5-13/h1-5,11-12,19H,6-10H2,(H,20,24)
• InChIKey: PQSQXGTZZBVJOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.096695
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.30954984
• LogD (pH = 7.4): 1.3597035
• Log P: 1.4207512
• Molar Refractivity: 96.58 cm^3
• Polarizability: 36.79979 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.27
• LOG S: -2.86
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 5