1-(dimethyl-1,3-thiazol-2-yl)piperazine

• ChemBase ID: 243148
• Molecular Formular: C9H15N3S
• Molecular Mass: 197.3005
• Monoisotopic Mass: 197.0986685
• SMILES: c1(nc(c(s1)C)C)N1CCNCC1
• Canonical SMILES: Cc1sc(nc1C)N1CCNCC1
• InChI: InChI=1S/C9H15N3S/c1-7-8(2)13-9(11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
• InChIKey: XFKCBYOBDPYRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09910261
• PubChem SID: 164299058
• PubChem CID: 19915765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2605157
• LogD (pH = 7.4): 0.3425253
• Log P: 1.6656351
• Molar Refractivity: 55.5715 cm^3
• Polarizability: 20.924229 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.468

Product Information

• Purity: 95%