2-(diphenylmethyl)-1,3-thiazol-4-amine

• ChemBase ID: 311396
• Molecular Formular: C16H14N2S
• Molecular Mass: 266.36076
• Monoisotopic Mass: 266.08776946
• SMILES: c1(nc(cs1)N)C(c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1csc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H14N2S/c17-14-11-19-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,17H2
• InChIKey: DUUZMBXMNDQVIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 425399-53-7
• MDL Number: MFCD02108091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.030746
• LogD (pH = 7.4): 4.031752
• Log P: 4.031765
• Molar Refractivity: 80.1124 cm^3
• Polarizability: 30.172735 Å^3
• Polar Surface Area: 38.91 Å^2