[1,2]thiazolo[5,4-b]pyridin-3-amine

• ChemBase ID: 289580
• Molecular Formular: C6H5N3S
• Molecular Mass: 151.189
• Monoisotopic Mass: 151.02041818
• SMILES: Nc1nsc2ncccc12
• Canonical SMILES: Nc1nsc2c1cccn2
• InChI: InChI=1S/C6H5N3S/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)
• InChIKey: NVOYVQKFZVOHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2]thiazolo[5,4-b]pyridin-3-amine
• IUPAC Traditional name: [1,2]thiazolo[5,4-b]pyridin-3-amine
• Synonyms: Isothiazolo[5,4-b]pyridin-3-amine

Database IDs

• CAS Number: 56891-64-6
• PubChem SID: 180675111
• PubChem CID: 12955480

CALCULATED PROPERTIES

• Acid pKa: 18.131905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9525888
• LogD (pH = 7.4): 0.9537485
• Log P: 0.9537633
• Molar Refractivity: 41.0429 cm^3
• Polarizability: 15.198809 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%