4-ethyl-1,3-thiazol-5-amine

• ChemBase ID: 241653
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: c1(scnc1CC)N
• Canonical SMILES: CCc1ncsc1N
• InChI: InChI=1S/C5H8N2S/c1-2-4-5(6)8-3-7-4/h3H,2,6H2,1H3
• InChIKey: YTISIBIFDGLAOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 4-ethyl-1,3-thiazol-5-amine
• Synonyms: 4-ethyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD16669882
• PubChem SID: 164297563
• PubChem CID: 60044679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7955081
• LogD (pH = 7.4): 0.8009445
• Log P: 0.8010146
• Molar Refractivity: 34.3451 cm^3
• Polarizability: 12.856517 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.207

Product Information

• Purity: 95%