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

• ChemBase ID: 264475
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: c1(ncc(s1)CC)N
• Canonical SMILES: CCc1cnc(s1)N
• InChI: InChI=1S/C5H8N2S/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H2,6,7)
• InChIKey: HNOGSSUZDLBROJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-ethyl-1,3-thiazol-2-amine
• Synonyms: 5-ethyl-1,3-thiazol-2-amine; 5-Ethylthiazol-2-amine

Database IDs

• CAS Number: 39136-60-2
• MDL Number: MFCD00613421
• PubChem SID: 164320385
• PubChem CID: 12737257

CALCULATED PROPERTIES

• Acid pKa: 17.732979
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2956052
• LogD (pH = 7.4): 1.572369
• Log P: 1.5777922
• Molar Refractivity: 35.0204 cm^3
• Polarizability: 12.858097 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 1.257

Product Information

• Purity: 95%; 95+%