N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 580550
• Molecular Formular: C19H17FN4O2S
• Molecular Mass: 384.4272832
• Monoisotopic Mass: 384.10562502
• SMILES: n12c(C(=O)N(Cc3onc(c3)CC)C)csc1nc(c2)c1ccc(cc1)F
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1csc2n1cc(n2)c1ccc(cc1)F)C
• InChI: InChI=1S/C19H17FN4O2S/c1-3-14-8-15(26-22-14)9-23(2)18(25)17-11-27-19-21-16(10-24(17)19)12-4-6-13(20)7-5-12/h4-8,10-11H,3,9H2,1-2H3
• InChIKey: FSICNVIJXBBIIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0263424
• LogD (pH = 7.4): 3.0279274
• Log P: 3.0279477
• Molar Refractivity: 112.3928 cm^3
• Polarizability: 38.325657 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.88
• LOG S: -4.46
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 5