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

• ChemBase ID: 755062
• Molecular Formular: C16H21N3S
• Molecular Mass: 287.42304
• Monoisotopic Mass: 287.14561869
• SMILES: c1(N2C(CN(c3c(C)cccc3)CC2)C)nc(cs1)C
• Canonical SMILES: Cc1csc(n1)N1CCN(CC1C)c1ccccc1C
• InChI: InChI=1S/C16H21N3S/c1-12-6-4-5-7-15(12)18-8-9-19(14(3)10-18)16-17-13(2)11-20-16/h4-7,11,14H,8-10H2,1-3H3
• InChIKey: RJPSTOPQTJHFOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2186127
• LogD (pH = 7.4): 4.223871
• Log P: 4.223939
• Molar Refractivity: 85.7684 cm^3
• Polarizability: 31.966803 Å^3
• Polar Surface Area: 19.37 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: 2.92
• LOG S: -5.69
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2