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

• ChemBase ID: 308271
• Molecular Formular: C10H11N3S
• Molecular Mass: 205.27944
• Monoisotopic Mass: 205.06736837
• SMILES: c1(nc(cs1)CCN)c1cnccc1
• Canonical SMILES: NCCc1csc(n1)c1cccnc1
• InChI: InChI=1S/C10H11N3S/c11-4-3-9-7-14-10(13-9)8-2-1-5-12-6-8/h1-2,5-7H,3-4,11H2
• InChIKey: PZKIIHTUOGOFKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 919738-05-9
• MDL Number: MFCD07636860

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.118002
• LogD (pH = 7.4): -1.1798745
• Log P: 0.8833895
• Molar Refractivity: 66.8617 cm^3
• Polarizability: 22.608566 Å^3
• Polar Surface Area: 51.8 Å^2