N-[2-methyl-2-(morpholin-4-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 376367
• Molecular Formular: C20H24N4O2S
• Molecular Mass: 384.49516
• Monoisotopic Mass: 384.16199703
• SMILES: n12c(nc(c2)c2ccccc2)scc1C(=O)NCC(N1CCOCC1)(C)C
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)NCC(N1CCOCC1)(C)C
• InChI: InChI=1S/C20H24N4O2S/c1-20(2,23-8-10-26-11-9-23)14-21-18(25)17-13-27-19-22-16(12-24(17)19)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,25)
• InChIKey: MDXZQAYWXJXZIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-2-(morpholin-4-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[2-methyl-2-(morpholin-4-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[2-methyl-2-(4-morpholinyl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.990895
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.364375
• LogD (pH = 7.4): 2.276372
• Log P: 2.3179398
• Molar Refractivity: 118.2798 cm^3
• Polarizability: 41.984272 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.73
• LOG S: -3.28
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5