2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine

• ChemBase ID: 268083
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(sc(c1CC)C)CCN
• Canonical SMILES: NCCc1nc(c(s1)C)CC
• InChI: InChI=1S/C8H14N2S/c1-3-7-6(2)11-8(10-7)4-5-9/h3-5,9H2,1-2H3
• InChIKey: CNCRGOBKVWHQKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethanamine
• Synonyms: 2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09904759
• PubChem SID: 164323993
• PubChem CID: 24274632

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4392619
• LogD (pH = 7.4): -0.4585524
• Log P: 1.545753
• Molar Refractivity: 48.0409 cm^3
• Polarizability: 18.588614 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.254

Product Information

• Purity: 95%