dimethyl-1,3-thiazol-5-amine

• ChemBase ID: 235785
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: c1(sc(nc1C)C)N
• Canonical SMILES: Cc1sc(c(n1)C)N
• InChI: InChI=1S/C5H8N2S/c1-3-5(6)8-4(2)7-3/h6H2,1-2H3
• InChIKey: QYUDQIWSDAOUAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16669939
• PubChem SID: 164291695
• PubChem CID: 18684902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19236085
• LogD (pH = 7.4): 0.22313581
• Log P: 0.22354351
• Molar Refractivity: 34.1589 cm^3
• Polarizability: 12.778833 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.177

Product Information

• Purity: 95%