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

• ChemBase ID: 273322
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(csc1CC)C(N)C
• Canonical SMILES: CCc1scc(n1)C(N)C
• InChI: InChI=1S/C7H12N2S/c1-3-7-9-6(4-10-7)5(2)8/h4-5H,3,8H2,1-2H3
• InChIKey: BDXVMDPFRXPRNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16481372
• PubChem SID: 164329232
• PubChem CID: 45121661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4932578
• LogD (pH = 7.4): 0.086974435
• Log P: 1.2316438
• Molar Refractivity: 42.7791 cm^3
• Polarizability: 16.909391 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%