N-[(dimethyl-1,3-thiazol-5-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide

• ChemBase ID: 862552
• Molecular Formular: C16H27N3OS
• Molecular Mass: 309.47008
• Monoisotopic Mass: 309.1874835
• SMILES: n1c(c(sc1C)CNC(=O)CC1CCN(CC1)CCC)C
• Canonical SMILES: CCCN1CCC(CC1)CC(=O)NCc1sc(nc1C)C
• InChI: InChI=1S/C16H27N3OS/c1-4-7-19-8-5-14(6-9-19)10-16(20)17-11-15-12(2)18-13(3)21-15/h14H,4-11H2,1-3H3,(H,17,20)
• InChIKey: ZQVUIMDROQMSQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(dimethyl-1,3-thiazol-5-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(dimethyl-1,3-thiazol-5-yl)methyl]-2-(1-propylpiperidin-4-yl)acetamide
• Synonyms: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1-propyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.624766
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8240576
• LogD (pH = 7.4): -0.42437056
• Log P: 1.5180856
• Molar Refractivity: 87.5739 cm^3
• Polarizability: 33.88464 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.02
• LOG S: -3.18
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6