methyl[(1,2-thiazol-4-yl)methyl]amine

• ChemBase ID: 800562
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: N(C)Cc1cnsc1
• Canonical SMILES: CNCc1csnc1
• InChI: InChI=1S/C5H8N2S/c1-6-2-5-3-7-8-4-5/h3-4,6H,2H2,1H3
• InChIKey: MXRIESDCFAHICF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1,2-thiazol-4-yl)methyl]amine
• IUPAC Traditional name: methyl(1,2-thiazol-4-ylmethyl)amine
• Synonyms: N-(ISOTHIAZOL-4-YLMETHYL)-N-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3804545
• LogD (pH = 7.4): -0.7493659
• Log P: 0.5012081
• Molar Refractivity: 35.247 cm^3
• Polarizability: 13.328475 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%