1-(2-methyl-1,3-thiazole-5-carbonyl)-2-[2-(thiophen-2-yl)ethyl]piperidine

• ChemBase ID: 556827
• Molecular Formular: C16H20N2OS2
• Molecular Mass: 320.4728
• Monoisotopic Mass: 320.10170527
• SMILES: c1(C(=O)N2C(CCc3sccc3)CCCC2)sc(nc1)C
• Canonical SMILES: Cc1ncc(s1)C(=O)N1CCCCC1CCc1cccs1
• InChI: InChI=1S/C16H20N2OS2/c1-12-17-11-15(21-12)16(19)18-9-3-2-5-13(18)7-8-14-6-4-10-20-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3
• InChIKey: FQBBBSCWZVGPAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methyl-1,3-thiazole-5-carbonyl)-2-[2-(thiophen-2-yl)ethyl]piperidine
• IUPAC Traditional name: 1-(2-methyl-1,3-thiazole-5-carbonyl)-2-[2-(thiophen-2-yl)ethyl]piperidine
• Synonyms: 1-[(2-methyl-1,3-thiazol-5-yl)carbonyl]-2-[2-(2-thienyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4661312
• LogD (pH = 7.4): 3.4662511
• Log P: 3.4662528
• Molar Refractivity: 87.1877 cm^3
• Polarizability: 33.145416 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.51
• LOG S: -3.68
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4