4-ethyl-1,3-thiazol-2-amine

• ChemBase ID: 308908
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: n1c(scc1CC)N
• Canonical SMILES: CCc1csc(n1)N
• InChI: InChI=1S/C5H8N2S/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3,(H2,6,7)
• InChIKey: JJDSGHBAXFTEHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-ethyl-1,3-thiazol-2-amine
• Synonyms: 4-ethyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 34631-53-3
• MDL Number: MFCD13179620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.22708
• LogD (pH = 7.4): 1.3179686
• Log P: 1.3192687
• Molar Refractivity: 34.6585 cm^3
• Polarizability: 12.85434 Å^3
• Polar Surface Area: 38.91 Å^2