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

• ChemBase ID: 124996
• Molecular Formular: C10H12Cl2N2S
• Molecular Mass: 263.18668
• Monoisotopic Mass: 262.00982475
• SMILES: c1(nccs1)c1cc(CN)ccc1.Cl.Cl
• Canonical SMILES: NCc1cccc(c1)c1nccs1.Cl.Cl
• InChI: InChI=1S/C10H10N2S.2ClH/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10;;/h1-6H,7,11H2;2*1H
• InChIKey: SVXUPAISSGYXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162219349
• PubChem CID: 51138531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1876248
• LogD (pH = 7.4): -0.1256816
• Log P: 1.7825773
• Molar Refractivity: 64.8414 cm^3
• Polarizability: 21.751556 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl