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

• ChemBase ID: 490250
• Molecular Formular: C26H34N4OS
• Molecular Mass: 450.63936
• Monoisotopic Mass: 450.24533273
• SMILES: c1(c(n2c(n1)scc2)CN1CC(CC1)C1CCCCC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCC(C1)C1CCCCC1)ccs2)CCc1ccccc1
• InChI: InChI=1S/C26H34N4OS/c1-28(14-12-20-8-4-2-5-9-20)25(31)24-23(30-16-17-32-26(30)27-24)19-29-15-13-22(18-29)21-10-6-3-7-11-21/h2,4-5,8-9,16-17,21-22H,3,6-7,10-15,18-19H2,1H3
• InChIKey: KWZZJLGEICEQHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0087934
• LogD (pH = 7.4): 3.7807064
• Log P: 4.7239637
• Molar Refractivity: 142.963 cm^3
• Polarizability: 50.252895 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.88
• LOG S: -5.13
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 7