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

• ChemBase ID: 275369
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c1(ncc(s1)C)C1CNCCC1
• Canonical SMILES: Cc1cnc(s1)C1CCCNC1
• InChI: InChI=1S/C9H14N2S/c1-7-5-11-9(12-7)8-3-2-4-10-6-8/h5,8,10H,2-4,6H2,1H3
• InChIKey: JTFGCOFDZSFVJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16834288
• PubChem SID: 164331279
• PubChem CID: 54593653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5245869
• LogD (pH = 7.4): -0.48824868
• Log P: 1.6604495
• Molar Refractivity: 51.041 cm^3
• Polarizability: 19.786219 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.336

Product Information

• Purity: 95%