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

• ChemBase ID: 235135
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(ncc(s1)CC)C(N)C
• Canonical SMILES: CCc1cnc(s1)C(N)C
• InChI: InChI=1S/C7H12N2S/c1-3-6-4-9-7(10-6)5(2)8/h4-5H,3,8H2,1-2H3
• InChIKey: APKAMZXMSWTCKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09904508
• PubChem SID: 164291045
• PubChem CID: 24274392

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0347747
• LogD (pH = 7.4): 0.6416017
• Log P: 1.4901673
• Molar Refractivity: 43.141 cm^3
• Polarizability: 16.913225 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.775

Product Information

• Purity: 95%