methyl[(1,3-thiazol-4-yl)methyl]amine hydrochloride

• ChemBase ID: 811090
• Molecular Formular: C5H9ClN2S
• Molecular Mass: 164.65636
• Monoisotopic Mass: 164.01749698
• SMILES: Cl.N(Cc1ncsc1)C
• Canonical SMILES: CNCc1cscn1.Cl
• InChI: InChI=1S/C5H8N2S.ClH/c1-6-2-5-3-8-4-7-5;/h3-4,6H,2H2,1H3;1H
• InChIKey: DIRYHBWRIBQMMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1,3-thiazol-4-yl)methyl]amine hydrochloride
• IUPAC Traditional name: methyl(1,3-thiazol-4-ylmethyl)amine hydrochloride
• Synonyms: METHYL-THIAZOL-4-YLMETHYL-AMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1523051
• LogD (pH = 7.4): -0.41989115
• Log P: 0.27185932
• Molar Refractivity: 33.9922 cm^3
• Polarizability: 13.314963 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%