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

• ChemBase ID: 256303
• Molecular Formular: C8H13N3S
• Molecular Mass: 183.27392
• Monoisotopic Mass: 183.08301843
• SMILES: c1(nc(cs1)C)N1CCNCC1
• Canonical SMILES: Cc1csc(n1)N1CCNCC1
• InChI: InChI=1S/C8H13N3S/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
• InChIKey: UGWOIKOTDJQPST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 40615-11-0
• MDL Number: MFCD08461014
• PubChem SID: 164312213
• PubChem CID: 14479872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8932699
• LogD (pH = 7.4): -0.28311846
• Log P: 1.0197743
• Molar Refractivity: 50.5152 cm^3
• Polarizability: 19.166473 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.484

Product Information

• Purity: 95%