2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

• ChemBase ID: 782182
• Molecular Formular: C13H18N4O2S2
• Molecular Mass: 326.43762
• Monoisotopic Mass: 326.08711784
• SMILES: n1c(noc1C)CCN(C(=O)Cc1nc(sc1)SCC)C
• Canonical SMILES: CCSc1scc(n1)CC(=O)N(CCc1noc(n1)C)C
• InChI: InChI=1S/C13H18N4O2S2/c1-4-20-13-15-10(8-21-13)7-12(18)17(3)6-5-11-14-9(2)19-16-11/h8H,4-7H2,1-3H3
• InChIKey: JUJWFXSVKOQHHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
• Synonyms: 2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2657077
• LogD (pH = 7.4): 2.265725
• Log P: 2.2657251
• Molar Refractivity: 84.7271 cm^3
• Polarizability: 31.83916 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.94
• LOG S: -2.38
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7