3,5-dimethyl-7-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

• ChemBase ID: 672240
• Molecular Formular: C14H16N6OS
• Molecular Mass: 316.38144
• Monoisotopic Mass: 316.11063016
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1Cc2n(c(nn2)C)C(C1)C
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)N1CC(C)n2c(C1)nnc2C
• InChI: InChI=1S/C14H16N6OS/c1-8-6-18(7-11-17-16-10(3)20(8)11)13(21)12-9(2)15-14-19(12)4-5-22-14/h4-5,8H,6-7H2,1-3H3
• InChIKey: UGFPFDXBNMNGRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-7-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
• IUPAC Traditional name: 3,5-dimethyl-7-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-5H,6H,8H-[1,2,4]triazolo[4,3-a]pyrazine
• Synonyms: 3,5-dimethyl-7-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5481633
• LogD (pH = 7.4): -0.546893
• Log P: -0.5468768
• Molar Refractivity: 95.751 cm^3
• Polarizability: 30.607136 Å^3
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.99
• LOG S: -2.35
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 1