5-({[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 332187
• Molecular Formular: C24H30N6OS
• Molecular Mass: 450.5996
• Monoisotopic Mass: 450.22018061
• SMILES: c1(nc2n(c1CNCc1c(n(nc1C)CC)C)ccs2)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CCn1nc(c(c1C)CNCc1c(nc2n1ccs2)C(=O)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C24H30N6OS/c1-5-30-18(3)20(17(2)27-30)15-25-16-21-22(26-24-29(21)13-14-32-24)23(31)28(4)12-11-19-9-7-6-8-10-19/h6-10,13-14,25H,5,11-12,15-16H2,1-4H3
• InChIKey: DAINGLHUMIHQBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: 5-({[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]amino}methyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: 5-({[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.82915133
• LogD (pH = 7.4): 2.4557369
• Log P: 2.8086505
• Molar Refractivity: 152.5111 cm^3
• Polarizability: 48.665882 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.93
• LOG S: -5.25
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 8