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

• ChemBase ID: 475043
• Molecular Formular: C21H26N4OS
• Molecular Mass: 382.52234
• Monoisotopic Mass: 382.18273247
• SMILES: c1(nc2n(c1CNC1CCCC1)ccs2)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNC1CCCC1)ccs2)CCc1ccccc1
• InChI: InChI=1S/C21H26N4OS/c1-24(12-11-16-7-3-2-4-8-16)20(26)19-18(15-22-17-9-5-6-10-17)25-13-14-27-21(25)23-19/h2-4,7-8,13-14,17,22H,5-6,9-12,15H2,1H3
• InChIKey: DMTQFLDIRLBKTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(cyclopentylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: 5-[(cyclopentylamino)methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: 5-[(cyclopentylamino)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): 0.3608556
• LogD (pH = 7.4): 1.9262465
• Log P: 3.3232796
• Molar Refractivity: 120.9185 cm^3
• Polarizability: 41.773766 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: 2.71
• LOG S: -4.12
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7