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

• ChemBase ID: 287582
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: s1c(cnc1)NC
• Canonical SMILES: CNc1cncs1
• InChI: InChI=1S/C4H6N2S/c1-5-4-2-6-3-7-4/h2-3,5H,1H3
• InChIKey: QXQWXWASXBHSJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-thiazol-5-amine
• IUPAC Traditional name: N-methyl-1,3-thiazol-5-amine
• Synonyms: Thiazol-5-yl-methylamine

Database IDs

• CAS Number: 161805-76-1
• MDL Number: MFCD13176564
• PubChem SID: 180673113
• PubChem CID: 23092585

CALCULATED PROPERTIES

• Acid pKa: 19.735645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26910508
• LogD (pH = 7.4): 0.2707907
• Log P: 0.2708127
• Molar Refractivity: 30.6201 cm^3
• Polarizability: 11.107558 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%