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

• ChemBase ID: 277849
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1C)NCC
• Canonical SMILES: CCNc1scc(n1)C
• InChI: InChI=1S/C6H10N2S/c1-3-7-6-8-5(2)4-9-6/h4H,3H2,1-2H3,(H,7,8)
• InChIKey: OTZRGNJOVDRNHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11123350
• PubChem SID: 164333759
• PubChem CID: 23074121

CALCULATED PROPERTIES

• Acid pKa: 16.425032
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.267965
• LogD (pH = 7.4): 1.2771267
• Log P: 1.2772448
• Molar Refractivity: 40.2736 cm^3
• Polarizability: 14.686608 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.061

Product Information

• Purity: 95%