4-(5-phenyl-1,3-thiazol-2-yl)piperidine

• ChemBase ID: 812016
• Molecular Formular: C14H16N2S
• Molecular Mass: 244.35524
• Monoisotopic Mass: 244.10341952
• SMILES: C1(CCNCC1)c1sc(cn1)c1ccccc1
• Canonical SMILES: N1CCC(CC1)c1ncc(s1)c1ccccc1
• InChI: InChI=1S/C14H16N2S/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2
• InChIKey: RDKOIBCQMYSNMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-phenyl-1,3-thiazol-2-yl)piperidine
• IUPAC Traditional name: 4-(5-phenyl-1,3-thiazol-2-yl)piperidine
• Synonyms: 4-(5-PHENYL-THIAZOL-2-YL)-PIPERIDINE

Database IDs

• CAS Number: 885274-68-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.70958924
• LogD (pH = 7.4): 0.09647556
• Log P: 2.5026126
• Molar Refractivity: 71.059 cm^3
• Polarizability: 29.017202 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%