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

• ChemBase ID: 718070
• Molecular Formular: C20H20N4O3S
• Molecular Mass: 396.4628
• Monoisotopic Mass: 396.12561152
• SMILES: n12c(C(=O)N(Cc3onc(c3)CC)C)csc1nc(c2)c1c(OC)cccc1
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1csc2n1cc(n2)c1ccccc1OC)C
• InChI: InChI=1S/C20H20N4O3S/c1-4-13-9-14(27-22-13)10-23(2)19(25)17-12-28-20-21-16(11-24(17)20)15-7-5-6-8-18(15)26-3/h5-9,11-12H,4,10H2,1-3H3
• InChIKey: YLWZRKDCJYZYDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7262833
• LogD (pH = 7.4): 2.7275581
• Log P: 2.7275743
• Molar Refractivity: 118.6396 cm^3
• Polarizability: 41.162144 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.61
• LOG S: -4.32
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6