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

• ChemBase ID: 271329
• Molecular Formular: C9H15N3S
• Molecular Mass: 197.3005
• Monoisotopic Mass: 197.0986685
• SMILES: c1(nc(cs1)C)N1C(CNCC1)C
• Canonical SMILES: CC1CNCCN1c1scc(n1)C
• InChI: InChI=1S/C9H15N3S/c1-7-6-13-9(11-7)12-4-3-10-5-8(12)2/h6,8,10H,3-5H2,1-2H3
• InChIKey: SJSZICVCNDZNFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16842671
• PubChem SID: 164327239
• PubChem CID: 54592591

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5434711
• LogD (pH = 7.4): 0.0054399674
• Log P: 1.4363493
• Molar Refractivity: 54.934 cm^3
• Polarizability: 21.00272 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.538

Product Information

• Purity: 95%