5-[(cyclobutylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 515772
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(nc2n(c1CNC1CCC1)ccs2)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNC1CCC1)ccs2)CCc1ccccc1
• InChI: InChI=1S/C20H24N4OS/c1-23(11-10-15-6-3-2-4-7-15)19(25)18-17(14-21-16-8-5-9-16)24-12-13-26-20(24)22-18/h2-4,6-7,12-13,16,21H,5,8-11,14H2,1H3
• InChIKey: ZAOUXPLTSUSPKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(cyclobutylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: 5-[(cyclobutylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: 5-[(cyclobutylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.09147121
• LogD (pH = 7.4): 1.7722759
• Log P: 2.878711
• Molar Refractivity: 116.3175 cm^3
• Polarizability: 39.933243 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.15
• LOG S: -3.84
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7