N3,N3-diethyl-N1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide

• ChemBase ID: 776847
• Molecular Formular: C14H23N5O2S
• Molecular Mass: 325.42972
• Monoisotopic Mass: 325.157246
• SMILES: n1c(NC(=O)N2CC(C(=O)N(CC)CC)CCC2)snc1C
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)Nc1snc(n1)C)CC
• InChI: InChI=1S/C14H23N5O2S/c1-4-18(5-2)12(20)11-7-6-8-19(9-11)14(21)16-13-15-10(3)17-22-13/h11H,4-9H2,1-3H3,(H,15,16,17,21)
• InChIKey: UZPGINUOFSWCTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3,N3-diethyl-N1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3,N3-diethyl-N1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
• Synonyms: N~3~,N~3~-diethyl-N~1~-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.234112
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4938756
• LogD (pH = 7.4): 1.4932758
• Log P: 1.4938896
• Molar Refractivity: 87.8512 cm^3
• Polarizability: 32.18775 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.39
• LOG S: -2.76
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4