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

• ChemBase ID: 267360
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: c1(nccs1)C1NCCCC1
• Canonical SMILES: C1CCC(NC1)c1nccs1
• InChI: InChI=1S/C8H12N2S/c1-2-4-9-7(3-1)8-10-5-6-11-8/h5-7,9H,1-4H2
• InChIKey: ILFOGJAUBNLBDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 2-(1,3-thiazol-2-yl)piperidine
• Synonyms: 2-(1,3-thiazol-2-yl)piperidine; 2-THIAZOL-2-YL-PIPERIDINE

Database IDs

• CAS Number: 526183-08-4
• MDL Number: MFCD04966897
• PubChem SID: 164323270
• PubChem CID: 3625593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9937337
• LogD (pH = 7.4): 0.72776216
• Log P: 1.3258764
• Molar Refractivity: 45.7287 cm^3
• Polarizability: 18.107353 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.837

Product Information

• Purity: 95%; 98%