1-(5-methyl-1,3-thiazol-2-yl)piperazine

• ChemBase ID: 68264
• Molecular Formular: C8H13N3S
• Molecular Mass: 183.27392
• Monoisotopic Mass: 183.08301843
• SMILES: s1c(ncc1C)N1CCNCC1
• Canonical SMILES: Cc1cnc(s1)N1CCNCC1
• InChI: InChI=1S/C8H13N3S/c1-7-6-10-8(12-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
• InChIKey: QBAIDZGUOXGFNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-(5-methyl-1,3-thiazol-2-yl)piperazine
• Synonyms: 5-Methyl-2-(piperazin-1-yl)thiazole

Database IDs

• CAS Number: 118113-05-6
• MDL Number: MFCD09743787
• PubChem SID: 162033996
• PubChem CID: 21100190

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3912357
• LogD (pH = 7.4): 0.2138096
• Log P: 1.5342649
• Molar Refractivity: 50.98 cm^3
• Polarizability: 19.170279 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%