N-benzyl-1,3-thiazol-2-amine

• ChemBase ID: 268423
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(nccs1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNc1nccs1
• InChI: InChI=1S/C10H10N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-7H,8H2,(H,11,12)
• InChIKey: QSLBXMRJPQRVER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-benzyl-1,3-thiazol-2-amine
• Synonyms: N-benzyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD02131295
• PubChem SID: 164324333
• PubChem CID: 273599

CALCULATED PROPERTIES

• Acid pKa: 14.846597
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5026047
• LogD (pH = 7.4): 2.5134
• Log P: 2.5135398
• Molar Refractivity: 55.5461 cm^3
• Polarizability: 20.663042 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.481

Product Information

• Purity: 95%