2-(pyridin-3-yl)-1,3-thiazol-5-amine

• ChemBase ID: 308922
• Molecular Formular: C8H7N3S
• Molecular Mass: 177.22628
• Monoisotopic Mass: 177.03606824
• SMILES: c1(sc(cn1)N)c1cnccc1
• Canonical SMILES: Nc1cnc(s1)c1cccnc1
• InChI: InChI=1S/C8H7N3S/c9-7-5-11-8(12-7)6-2-1-3-10-4-6/h1-5H,9H2
• InChIKey: MUNKBMPBTNZCTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)-1,3-thiazol-5-amine
• IUPAC Traditional name: 2-(pyridin-3-yl)-1,3-thiazol-5-amine
• Synonyms: 2-(3-pyridinyl)-1,3-thiazol-5-amine

Database IDs

• CAS Number: 1159821-51-8
• MDL Number: MFCD12033412

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7604243
• LogD (pH = 7.4): 0.77600384
• Log P: 0.77620643
• Molar Refractivity: 58.0714 cm^3
• Polarizability: 18.613571 Å^3
• Polar Surface Area: 51.8 Å^2