[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine hydrochloride

• ChemBase ID: 124889
• Molecular Formular: C16H15ClN2S
• Molecular Mass: 302.8217
• Monoisotopic Mass: 302.06444717
• SMILES: n1c(scc1c1ccccc1)c1cc(CN)ccc1.Cl
• Canonical SMILES: NCc1cccc(c1)c1scc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C16H14N2S.ClH/c17-10-12-5-4-8-14(9-12)16-18-15(11-19-16)13-6-2-1-3-7-13;/h1-9,11H,10,17H2;1H
• InChIKey: UZTCTNPTRYBBHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine hydrochloride
• Synonyms: (3-(4-phenylthiazol-2-yl)phenyl)methanamine hydrochloride

Database IDs

• PubChem SID: 162219242
• PubChem CID: 52983785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8459997
• LogD (pH = 7.4): 1.9085304
• Log P: 3.815653
• Molar Refractivity: 89.6056 cm^3
• Polarizability: 32.806454 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl