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

• ChemBase ID: 101468
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: c1(nccs1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1nccs1
• InChI: InChI=1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2
• InChIKey: XSHHZEANTJNOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 4175-70-6
• MDL Number: MFCD00234458
• PubChem SID: 162087980
• PubChem CID: 15110477

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2728992
• LogD (pH = 7.4): 2.2746758
• Log P: 2.2746985
• Molar Refractivity: 47.3103 cm^3
• Polarizability: 17.719337 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%