N-cyclopentyl-N-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 648315
• Molecular Formular: C24H25N3O3S2
• Molecular Mass: 467.6036
• Monoisotopic Mass: 467.13373368
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1cc(OCc2sccc2)c(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1OCc1cccs1)CN(C(=O)c1cn2c(n1)scc2)C1CCCC1
• InChI: InChI=1S/C24H25N3O3S2/c1-29-21-9-8-17(13-22(21)30-16-19-7-4-11-31-19)14-27(18-5-2-3-6-18)23(28)20-15-26-10-12-32-24(26)25-20/h4,7-13,15,18H,2-3,5-6,14,16H2,1H3
• InChIKey: BKHGLCBVORLVJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-cyclopentyl-N-[4-methoxy-3-(2-thienylmethoxy)benzyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.8782487
• LogD (pH = 7.4): 4.87828
• Log P: 4.8782806
• Molar Refractivity: 137.4669 cm^3
• Polarizability: 48.040375 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.48
• LOG S: -6.09
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7