ethyl[2-(1,3-thiazol-2-yl)ethyl]amine

• ChemBase ID: 243052
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(scc1)CCNCC
• Canonical SMILES: CCNCCc1nccs1
• InChI: InChI=1S/C7H12N2S/c1-2-8-4-3-7-9-5-6-10-7/h5-6,8H,2-4H2,1H3
• InChIKey: DXYQLJDVBNCPNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(1,3-thiazol-2-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(1,3-thiazol-2-yl)ethyl]amine
• Synonyms: ethyl[2-(1,3-thiazol-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD16478523
• PubChem SID: 164298962
• PubChem CID: 63242012

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.328771
• LogD (pH = 7.4): -1.3071221
• Log P: 0.85737455
• Molar Refractivity: 43.2894 cm^3
• Polarizability: 16.91205 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.452

Product Information

• Purity: 95%