N-methyl-2-phenyl-1,3-thiazol-5-amine hydrochloride

• ChemBase ID: 813304
• Molecular Formular: C10H11ClN2S
• Molecular Mass: 226.72574
• Monoisotopic Mass: 226.03314704
• SMILES: Cl.N(C)c1sc(nc1)c1ccccc1
• Canonical SMILES: CNc1cnc(s1)c1ccccc1.Cl
• InChI: InChI=1S/C10H10N2S.ClH/c1-11-9-7-12-10(13-9)8-5-3-2-4-6-8;/h2-7,11H,1H3;1H
• InChIKey: WHDGUUMKEKOHOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenyl-1,3-thiazol-5-amine hydrochloride
• IUPAC Traditional name: N-methyl-2-phenyl-1,3-thiazol-5-amine hydrochloride
• Synonyms: 2-PHENYL-THIAZOL-5-YL-METHYLAMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2915723
• LogD (pH = 7.4): 2.2955322
• Log P: 2.295583
• Molar Refractivity: 65.7217 cm^3
• Polarizability: 21.350721 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%