6-amino-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

• ChemBase ID: 309576
• Molecular Formular: C6H5N3OS
• Molecular Mass: 167.1884
• Monoisotopic Mass: 167.0153328
• SMILES: n12c(=O)c(cnc1scc2)N
• Canonical SMILES: Nc1cnc2n(c1=O)ccs2
• InChI: InChI=1S/C6H5N3OS/c7-4-3-8-6-9(5(4)10)1-2-11-6/h1-3H,7H2
• InChIKey: IQHJKDWYKJZXPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• IUPAC Traditional name: 6-amino-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• Synonyms: 6-amino-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Database IDs

• MDL Number: MFCD08064910

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0032084668
• LogD (pH = 7.4): 0.0032085234
• Log P: 0.003208524
• Molar Refractivity: 43.4402 cm^3
• Polarizability: 16.047039 Å^3
• Polar Surface Area: 58.69 Å^2