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

• ChemBase ID: 284611
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: s1c(cnc1C)N
• Canonical SMILES: Nc1cnc(s1)C
• InChI: InChI=1S/C4H6N2S/c1-3-6-2-4(5)7-3/h2H,5H2,1H3
• InChIKey: IDSUZAVUCMIBBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 2-methyl-1,3-thiazol-5-amine
• Synonyms: 2-methyl-1,3-thiazol-5-amine; 2-Methylthiazol-5-amine

Database IDs

• CAS Number: 89281-44-7
• MDL Number: MFCD11847087
• PubChem SID: 180670142
• PubChem CID: 20829880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.051260144
• LogD (pH = 7.4): 0.091628686
• Log P: 0.092173345
• Molar Refractivity: 29.5674 cm^3
• Polarizability: 11.030672 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%; 95+%; 97%