methyl[(1,3-thiazol-5-yl)methyl]amine

• ChemBase ID: 795887
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: C(NC)c1scnc1
• Canonical SMILES: CNCc1cncs1
• InChI: InChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
• InChIKey: BVDWIWZWZZLCGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1,3-thiazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl(1,3-thiazol-5-ylmethyl)amine
• Synonyms: N-Methyl-1-(thiazol-5-yl)MethanaMine

Database IDs

• CAS Number: 933751-05-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5119503
• LogD (pH = 7.4): -0.8535965
• Log P: 0.32282683
• Molar Refractivity: 34.2985 cm^3
• Polarizability: 13.316711 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%