3-cyclohexyl-1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}pyrrolidine

• ChemBase ID: 349086
• Molecular Formular: C22H25N3OS
• Molecular Mass: 379.5184
• Monoisotopic Mass: 379.17183344
• SMILES: n12c(C(=O)N3CC(CC3)C3CCCCC3)csc1nc(c2)c1ccccc1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)N1CCC(C1)C1CCCCC1
• InChI: InChI=1S/C22H25N3OS/c26-21(24-12-11-18(13-24)16-7-3-1-4-8-16)20-15-27-22-23-19(14-25(20)22)17-9-5-2-6-10-17/h2,5-6,9-10,14-16,18H,1,3-4,7-8,11-13H2
• InChIKey: AHFXHYQLLAZAMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}pyrrolidine
• IUPAC Traditional name: 3-cyclohexyl-1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}pyrrolidine
• Synonyms: 3-[(3-cyclohexyl-1-pyrrolidinyl)carbonyl]-6-phenylimidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.415056
• LogD (pH = 7.4): 4.416638
• Log P: 4.416658
• Molar Refractivity: 120.1889 cm^3
• Polarizability: 42.72488 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.95
• LOG S: -6.98
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3