N3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 653782
• Molecular Formular: C15H24N4O2S
• Molecular Mass: 324.44166
• Monoisotopic Mass: 324.16199703
• SMILES: n1c(c(sc1CCC)CNC(=O)C1CN(C(=O)N)CCC1)C
• Canonical SMILES: CCCc1nc(c(s1)CNC(=O)C1CCCN(C1)C(=O)N)C
• InChI: InChI=1S/C15H24N4O2S/c1-3-5-13-18-10(2)12(22-13)8-17-14(20)11-6-4-7-19(9-11)15(16)21/h11H,3-9H2,1-2H3,(H2,16,21)(H,17,20)
• InChIKey: CNNZGBRDEDWGGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.959234
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.64331704
• LogD (pH = 7.4): 0.6444995
• Log P: 0.64451456
• Molar Refractivity: 85.748 cm^3
• Polarizability: 32.923084 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.05
• LOG S: -2.83
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 5