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

• ChemBase ID: 307241
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(scc1CC)CCN
• Canonical SMILES: NCCc1scc(n1)CC
• InChI: InChI=1S/C7H12N2S/c1-2-6-5-10-7(9-6)3-4-8/h5H,2-4,8H2,1H3
• InChIKey: AZWYYKMFGQUDMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09055310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0794125
• LogD (pH = 7.4): -1.0721323
• Log P: 0.8998922
• Molar Refractivity: 42.9846 cm^3
• Polarizability: 16.82897 Å^3
• Polar Surface Area: 38.91 Å^2