N,4-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 259375
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: n1c(scc1C)NC
• Canonical SMILES: CNc1scc(n1)C
• InChI: InChI=1S/C5H8N2S/c1-4-3-8-5(6-2)7-4/h3H,1-2H3,(H,6,7)
• InChIKey: DGBNDUXTMUGNGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2161-68-4
• MDL Number: MFCD01924766
• PubChem SID: 164315285
• PubChem CID: 817030

CALCULATED PROPERTIES

• Acid pKa: 17.003904
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.91077226
• LogD (pH = 7.4): 0.9203138
• Log P: 0.9204369
• Molar Refractivity: 35.525 cm^3
• Polarizability: 12.854497 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.532

Product Information

• Purity: 95%; 98%