5-amino-3-methyl-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

• ChemBase ID: 123623
• Molecular Formular: C7H7N3OS
• Molecular Mass: 181.21498
• Monoisotopic Mass: 181.03098286
• SMILES: c12n(c(cc(=O)n1)N)c(cs2)C
• Canonical SMILES: Cc1csc2n1c(N)cc(=O)n2
• InChI: InChI=1S/C7H7N3OS/c1-4-3-12-7-9-6(11)2-5(8)10(4)7/h2-3H,8H2,1H3
• InChIKey: FZBCXDKITARKMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-3-methyl-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
• IUPAC Traditional name: 5-amino-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
• Synonyms: 5-amino-3-methyl-7H-thiazolo[3,2-a]pyrimidin-7-one

Database IDs

• PubChem SID: 162217976
• PubChem CID: 45492703

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.28536233
• LogD (pH = 7.4): 0.28538355
• Log P: 0.28538382
• Molar Refractivity: 58.7684 cm^3
• Polarizability: 17.877745 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true