2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-methyl-N-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}acetamide

• ChemBase ID: 635237
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c12nc(CC(=O)N(Cc3cn(nc3)C(C)C)C)cn1ccs2
• Canonical SMILES: O=C(N(Cc1cnn(c1)C(C)C)C)Cc1cn2c(n1)scc2
• InChI: InChI=1S/C15H19N5OS/c1-11(2)20-9-12(7-16-20)8-18(3)14(21)6-13-10-19-4-5-22-15(19)17-13/h4-5,7,9-11H,6,8H2,1-3H3
• InChIKey: VTPXGQRYNKPXIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-methyl-N-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}acetamide
• IUPAC Traditional name: 2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-[(1-isopropylpyrazol-4-yl)methyl]-N-methylacetamide
• Synonyms: 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3693712
• LogD (pH = 7.4): 1.382801
• Log P: 1.382975
• Molar Refractivity: 108.747 cm^3
• Polarizability: 32.421467 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.66
• LOG S: -0.71
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5