6-(4-fluorophenyl)-N-[2-methyl-1-(morpholin-4-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 684927
• Molecular Formular: C20H23FN4O2S
• Molecular Mass: 402.4856232
• Monoisotopic Mass: 402.15257522
• SMILES: n12c(C(=O)NC(CN3CCOCC3)(C)C)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccc(cc1)F)NC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C20H23FN4O2S/c1-20(2,13-24-7-9-27-10-8-24)23-18(26)17-12-28-19-22-16(11-25(17)19)14-3-5-15(21)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
• InChIKey: IKSBAJXWGUEVRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-[2-methyl-1-(morpholin-4-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-N-[2-methyl-1-(morpholin-4-yl)propan-2-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-(1,1-dimethyl-2-morpholin-4-ylethyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4471614
• LogD (pH = 7.4): 2.412507
• Log P: 2.4606416
• Molar Refractivity: 118.4962 cm^3
• Polarizability: 41.65969 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.237186

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.59
• LOG S: -4.35
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5