1-methyl-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 101495
• Molecular Formular: C8H13N3S
• Molecular Mass: 183.27392
• Monoisotopic Mass: 183.08301843
• SMILES: c1(N2CCN(CC2)C)nccs1
• Canonical SMILES: CN1CCN(CC1)c1nccs1
• InChI: InChI=1S/C8H13N3S/c1-10-3-5-11(6-4-10)8-9-2-7-12-8/h2,7H,3-6H2,1H3
• InChIKey: OSPDKPFPBGJRTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 187533-52-4
• MDL Number: MFCD11055263
• PubChem SID: 162087110
• PubChem CID: 10130248

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.31688535
• LogD (pH = 7.4): 1.100968
• Log P: 1.2714521
• Molar Refractivity: 51.2184 cm^3
• Polarizability: 19.248558 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%