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

• ChemBase ID: 66887
• Molecular Formular: C6H5N3S
• Molecular Mass: 151.189
• Monoisotopic Mass: 151.02041818
• SMILES: Nc1sc2cnccc2n1
• Canonical SMILES: Nc1nc2c(s1)cncc2
• InChI: InChI=1S/C6H5N3S/c7-6-9-4-1-2-8-3-5(4)10-6/h1-3H,(H2,7,9)
• InChIKey: CUPNTGIGCVTGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: [1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: Thiazolo[5,4-c]pyridin-2-ylamine

Database IDs

• CAS Number: 108310-79-8
• MDL Number: MFCD09909658
• PubChem SID: 162032623
• PubChem CID: 13799629

CALCULATED PROPERTIES

• Acid pKa: 16.398432
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7497219
• LogD (pH = 7.4): 0.7511057
• Log P: 0.75112337
• Molar Refractivity: 39.1455 cm^3
• Polarizability: 15.849253 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%