1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine

• ChemBase ID: 237514
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: n1c(csc1C)CN1CCCCC1
• Canonical SMILES: Cc1scc(n1)CN1CCCCC1
• InChI: InChI=1S/C10H16N2S/c1-9-11-10(8-13-9)7-12-5-3-2-4-6-12/h8H,2-7H2,1H3
• InChIKey: WMNWJJGONMPIRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine
• Synonyms: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine

Database IDs

• CAS Number: 17386-15-1
• MDL Number: MFCD05670073
• PubChem SID: 164293424
• PubChem CID: 5019947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3478686
• LogD (pH = 7.4): 1.2830199
• Log P: 1.6283381
• Molar Refractivity: 55.8696 cm^3
• Polarizability: 21.703362 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.012

Product Information

• Purity: 95%