2-(5-methyl-1,3-thiazol-2-yl)piperidine

• ChemBase ID: 241362
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c1(ncc(s1)C)C1NCCCC1
• Canonical SMILES: Cc1cnc(s1)C1CCCCN1
• InChI: InChI=1S/C9H14N2S/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
• InChIKey: XCHXNLPEYKHWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16834287
• PubChem SID: 164297272
• PubChem CID: 62653885

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.2716658
• Log P: 1.9717371
• Molar Refractivity: 50.785 cm^3
• Polarizability: 19.866922 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.46123588

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.336

Product Information

• Purity: 95%