4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine

• ChemBase ID: 308913
• Molecular Formular: C5H7ClN2S
• Molecular Mass: 162.64048
• Monoisotopic Mass: 162.00184691
• SMILES: n1c(scc1CCl)NC
• Canonical SMILES: CNc1scc(n1)CCl
• InChI: InChI=1S/C5H7ClN2S/c1-7-5-8-4(2-6)3-9-5/h3H,2H2,1H3,(H,7,8)
• InChIKey: YSYILILRFKOSMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine
• Synonyms: 4-(chloromethyl)-N-methyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 37060-74-5
• MDL Number: MFCD14702857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4552302
• LogD (pH = 7.4): 1.4577485
• Log P: 1.4577807
• Molar Refractivity: 40.2782 cm^3
• Polarizability: 14.826656 Å^3
• Polar Surface Area: 24.92 Å^2