3-(dimethyl-1,3-thiazol-2-yl)piperidine

• ChemBase ID: 267374
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: c1(nc(c(s1)C)C)C1CNCCC1
• Canonical SMILES: Cc1sc(nc1C)C1CCCNC1
• InChI: InChI=1S/C10H16N2S/c1-7-8(2)13-10(12-7)9-4-3-5-11-6-9/h9,11H,3-6H2,1-2H3
• InChIKey: PWMLYPKAABAYEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 3-(dimethyl-1,3-thiazol-2-yl)piperidine
• Synonyms: 3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine

Database IDs

• MDL Number: MFCD09891525
• PubChem SID: 164323284
• PubChem CID: 24261804

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4051645
• LogD (pH = 7.4): -0.45502615
• Log P: 1.7918197
• Molar Refractivity: 55.6325 cm^3
• Polarizability: 21.54266 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.785

Product Information

• Purity: 95%