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

• ChemBase ID: 283184
• Molecular Formular: C9H15N3S
• Molecular Mass: 197.3005
• Monoisotopic Mass: 197.0986685
• SMILES: c1(ncc(s1)CC)N1CCNCC1
• Canonical SMILES: CCc1cnc(s1)N1CCNCC1
• InChI: InChI=1S/C9H15N3S/c1-2-8-7-11-9(13-8)12-5-3-10-4-6-12/h7,10H,2-6H2,1H3
• InChIKey: CVRSDODZNJLINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-ethyl-1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-(5-ethyl-1,3-thiazol-2-yl)piperazine
• Synonyms: 1-(5-ethyl-1,3-thiazol-2-yl)piperazine

Database IDs

• MDL Number: MFCD16834332
• PubChem SID: 180668715
• PubChem CID: 54595657

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.94521016
• LogD (pH = 7.4): 0.66006476
• Log P: 1.9788336
• Molar Refractivity: 55.504 cm^3
• Polarizability: 21.006495 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.548

Product Information

• Purity: 95%