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

• ChemBase ID: 18987
• Molecular Formular: C7H11N3S
• Molecular Mass: 169.24734
• Monoisotopic Mass: 169.06736837
• SMILES: c1(nccs1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1nccs1
• InChI: InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2
• InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: piperazine, 1-(2-thiazolyl)-
• Synonyms: 2-(Piperazin-1-yl)thiazole; 1-Thiazol-2-yl-piperazine; 1-(1,3-Thiazol-2-yl)piperazine

Database IDs

• CAS Number: 42270-37-1
• MDL Number: MFCD00778419
• PubChem SID: 160982294
• PubChem CID: 911806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0226526
• LogD (pH = 7.4): -0.4106452
• Log P: 0.88840413
• Molar Refractivity: 45.9237 cm^3
• Polarizability: 17.413645 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.017

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%