4-ethyl-5-methyl-1,3-thiazol-2-amine

• ChemBase ID: 261325
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(sc(c1CC)C)N
• Canonical SMILES: CCc1nc(sc1C)N
• InChI: InChI=1S/C6H10N2S/c1-3-5-4(2)9-6(7)8-5/h3H2,1-2H3,(H2,7,8)
• InChIKey: XPDXICVHAINXCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-ethyl-5-methyl-1,3-thiazol-2-amine
• Synonyms: 4-ethyl-5-methyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD07186525
• PubChem SID: 164317235
• PubChem CID: 3164022

CALCULATED PROPERTIES

• Acid pKa: 17.89965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7251891
• LogD (pH = 7.4): 1.9610271
• Log P: 1.9651295
• Molar Refractivity: 39.7148 cm^3
• Polarizability: 14.608982 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 1.706

Product Information

• Purity: 95%