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

• ChemBase ID: 574760
• Molecular Formular: C14H17N5O2S
• Molecular Mass: 319.38208
• Monoisotopic Mass: 319.11029581
• SMILES: c1(n2c(nc1)CN(C(=O)c1nc(cs1)C(C)C)CC2)C(=O)N
• Canonical SMILES: O=C(c1scc(n1)C(C)C)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C14H17N5O2S/c1-8(2)9-7-22-13(17-9)14(21)18-3-4-19-10(12(15)20)5-16-11(19)6-18/h5,7-8H,3-4,6H2,1-2H3,(H2,15,20)
• InChIKey: FFEQRNUMJKAYIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872558
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15591106
• LogD (pH = 7.4): 0.18405718
• Log P: 0.18443029
• Molar Refractivity: 82.1863 cm^3
• Polarizability: 30.567366 Å^3
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.4
• LOG S: -1.87
• Polar Surface Area: 94.11 Å^2
• Rotatable Bonds: 3