2-amino-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-4-one

• ChemBase ID: 294618
• Molecular Formular: C6H7N3OS
• Molecular Mass: 169.20428
• Monoisotopic Mass: 169.03098286
• SMILES: Nc1nc2c(s1)C(=O)NCC2
• Canonical SMILES: Nc1nc2c(s1)C(=O)NCC2
• InChI: InChI=1S/C6H7N3OS/c7-6-9-3-1-2-8-5(10)4(3)11-6/h1-2H2,(H2,7,9)(H,8,10)
• InChIKey: RCZQMGROGKEVLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-4-one
• IUPAC Traditional name: 2-amino-5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-4-one
• Synonyms: 2-Amino-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one

Database IDs

• CAS Number: 26493-11-8
• MDL Number: MFCD14706760
• PubChem SID: 180680149
• PubChem CID: 70700682

CALCULATED PROPERTIES

• Acid pKa: 13.380265
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.23759294
• LogD (pH = 7.4): -0.23618808
• Log P: -0.23616965
• Molar Refractivity: 41.9311 cm^3
• Polarizability: 15.17149 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%