2H,3H,5H-[1,3]thiazolo[2,3-b]quinazolin-5-one

• ChemBase ID: 188167
• Molecular Formular: C10H8N2OS
• Molecular Mass: 204.24832
• Monoisotopic Mass: 204.03573389
• SMILES: n12c(nc3c(c1=O)cccc3)SCC2
• Canonical SMILES: O=c1c2ccccc2nc2n1CCS2
• InChI: InChI=1S/C10H8N2OS/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-14-10/h1-4H,5-6H2
• InChIKey: RMGOGXTUOWYYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,5H-[1,3]thiazolo[2,3-b]quinazolin-5-one
• IUPAC Traditional name: 2H,3H-[1,3]thiazolo[2,3-b]quinazolin-5-one

Database IDs

• PubChem SID: 164244077
• PubChem CID: 609363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9394699
• LogD (pH = 7.4): 1.9398223
• Log P: 1.9398268
• Molar Refractivity: 58.4401 cm^3
• Polarizability: 21.029371 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds