2-(2-ethyl-1,3-thiazol-4-yl)ethan-1-amine

• ChemBase ID: 268082
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(scc1CCN)CC
• Canonical SMILES: NCCc1csc(n1)CC
• InChI: InChI=1S/C7H12N2S/c1-2-7-9-6(3-4-8)5-10-7/h5H,2-4,8H2,1H3
• InChIKey: KAUHGEGPUJTZCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethyl-1,3-thiazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine
• Synonyms: 2-(2-ethyl-1,3-thiazol-4-yl)ethan-1-amine; 2-(2-ethyl-1,3-thiazol-4-yl)ethanamine

Database IDs

• MDL Number: MFCD10686570
• PubChem SID: 164323992
• PubChem CID: 28064760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.091569
• LogD (pH = 7.4): -1.1748347
• Log P: 0.8998922
• Molar Refractivity: 42.9846 cm^3
• Polarizability: 16.829 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.805

Product Information

• Purity: 95%