N,6-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

• ChemBase ID: 419763
• Molecular Formular: C13H14N4O2S
• Molecular Mass: 290.34086
• Monoisotopic Mass: 290.08374671
• SMILES: c1(C(=O)N(C(c2nocc2)C)C)n2c(nc1C)scc2
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1ccs2)C(c1nocc1)C
• InChI: InChI=1S/C13H14N4O2S/c1-8-11(17-5-7-20-13(17)14-8)12(18)16(3)9(2)10-4-6-19-15-10/h4-7,9H,1-3H3
• InChIKey: XOCXQWBTSRVVQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: N,6-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: N-(1-isoxazol-3-ylethyl)-N,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.88105243
• LogD (pH = 7.4): 0.8818588
• Log P: 0.88186914
• Molar Refractivity: 86.8795 cm^3
• Polarizability: 27.782732 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.74
• LOG S: -1.95
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3