2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethan-1-amine hydrobromide

• ChemBase ID: 240102
• Molecular Formular: C10H12BrN3S
• Molecular Mass: 286.19138
• Monoisotopic Mass: 284.9935304
• SMILES: n1c(scc1CCN)c1ncccc1.Br
• Canonical SMILES: NCCc1csc(n1)c1ccccn1.Br
• InChI: InChI=1S/C10H11N3S.BrH/c11-5-4-8-7-14-10(13-8)9-3-1-2-6-12-9;/h1-3,6-7H,4-5,11H2;1H
• InChIKey: PDSQXQBANCPAOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethan-1-amine hydrobromide
• IUPAC Traditional name: 2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethanamine hydrobromide
• Synonyms: 2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethan-1-amine hydrobromide

Database IDs

• MDL Number: MFCD04124954
• PubChem SID: 164296012
• PubChem CID: 16413006

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7194502
• LogD (pH = 7.4): -0.78660595
• Log P: 1.2692398
• Molar Refractivity: 66.4897 cm^3
• Polarizability: 22.618147 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.675

Product Information

• Purity: 95%