N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}acetamide

• ChemBase ID: 116142
• Molecular Formular: C8H11N3OS
• Molecular Mass: 197.25744
• Monoisotopic Mass: 197.06228299
• SMILES: c1(nc2c(s1)CNCC2)NC(=O)C
• Canonical SMILES: CC(=O)Nc1nc2c(s1)CNCC2
• InChI: InChI=1S/C8H11N3OS/c1-5(12)10-8-11-6-2-3-9-4-7(6)13-8/h9H,2-4H2,1H3,(H,10,11,12)
• InChIKey: IPMUAHNIKXITQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}acetamide
• IUPAC Traditional name: N-{4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}acetamide
• Synonyms: N-(4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide hydrochloride

Database IDs

• PubChem SID: 162107069
• PubChem CID: 28274565

CALCULATED PROPERTIES

• Acid pKa: 10.804084
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9478487
• LogD (pH = 7.4): -0.23633602
• Log P: 0.31449914
• Molar Refractivity: 51.3666 cm^3
• Polarizability: 19.287619 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.145

Product Information

• Purity: 95+%
• Salt Data: HCl