N3-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 381392
• Molecular Formular: C17H28N4O2S
• Molecular Mass: 352.49482
• Monoisotopic Mass: 352.19329716
• SMILES: C(=O)(N1CC(C(=O)NCCCc2nc(c(s2)C)C)CCC1)N(C)C
• Canonical SMILES: CN(C(=O)N1CCCC(C1)C(=O)NCCCc1sc(c(n1)C)C)C
• InChI: InChI=1S/C17H28N4O2S/c1-12-13(2)24-15(19-12)8-5-9-18-16(22)14-7-6-10-21(11-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22)
• InChIKey: FUBIJHPMBOQUSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(dimethyl-1,3-thiazol-2-yl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6287775
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.93472177
• LogD (pH = 7.4): 0.9359436
• Log P: 0.9359592
• Molar Refractivity: 95.9264 cm^3
• Polarizability: 36.58861 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.79
• LOG S: -3.3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 5