2-(furan-2-yl)-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-oxoacetamide

• ChemBase ID: 347424
• Molecular Formular: C11H11N3O3S
• Molecular Mass: 265.28834
• Monoisotopic Mass: 265.05211223
• SMILES: C(=O)(C(=O)N(Cc1c(nns1)C)C)c1occc1
• Canonical SMILES: CN(C(=O)C(=O)c1ccco1)Cc1snnc1C
• InChI: InChI=1S/C11H11N3O3S/c1-7-9(18-13-12-7)6-14(2)11(16)10(15)8-4-3-5-17-8/h3-5H,6H2,1-2H3
• InChIKey: LQNYDQLCUXTBPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-oxoacetamide
• IUPAC Traditional name: 2-(furan-2-yl)-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-oxoacetamide
• Synonyms: 2-(2-furyl)-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7681631
• LogD (pH = 7.4): 0.768164
• Log P: 0.768164
• Molar Refractivity: 65.5484 cm^3
• Polarizability: 24.269402 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.2
• LOG S: -2.62
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4