2-(1,3-thiazol-2-yl)-1-(thiophen-3-ylmethyl)piperidine

• ChemBase ID: 586761
• Molecular Formular: C13H16N2S2
• Molecular Mass: 264.40954
• Monoisotopic Mass: 264.07549052
• SMILES: N1(C(c2nccs2)CCCC1)Cc1cscc1
• Canonical SMILES: C1CCN(C(C1)c1nccs1)Cc1cscc1
• InChI: InChI=1S/C13H16N2S2/c1-2-6-15(9-11-4-7-16-10-11)12(3-1)13-14-5-8-17-13/h4-5,7-8,10,12H,1-3,6,9H2
• InChIKey: GRSRMBVMZSREFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-thiazol-2-yl)-1-(thiophen-3-ylmethyl)piperidine
• IUPAC Traditional name: 2-(1,3-thiazol-2-yl)-1-(thiophen-3-ylmethyl)piperidine
• Synonyms: 2-(1,3-thiazol-2-yl)-1-(3-thienylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5088487
• LogD (pH = 7.4): 3.0001848
• Log P: 3.2138393
• Molar Refractivity: 72.7418 cm^3
• Polarizability: 28.191595 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.98
• LOG S: -2.67
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3