1-(4-methyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)piperidine

• ChemBase ID: 436400
• Molecular Formular: C16H20N2S
• Molecular Mass: 272.4084
• Monoisotopic Mass: 272.13471965
• SMILES: c1(nc(cs1)C)N1CC(c2c(C)cccc2)CCC1
• Canonical SMILES: Cc1csc(n1)N1CCCC(C1)c1ccccc1C
• InChI: InChI=1S/C16H20N2S/c1-12-6-3-4-8-15(12)14-7-5-9-18(10-14)16-17-13(2)11-19-16/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3
• InChIKey: AIPWYTXHFNXSGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)piperidine
• IUPAC Traditional name: 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)piperidine
• Synonyms: 3-(2-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.416852
• LogD (pH = 7.4): 4.418249
• Log P: 4.418267
• Molar Refractivity: 81.5096 cm^3
• Polarizability: 30.750238 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.78
• LOG S: -6.32
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2