2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 218734
• Molecular Formular: C18H14N2O4S
• Molecular Mass: 354.37976
• Monoisotopic Mass: 354.06742794
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1nccs1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)Nc1nccs1
• InChI: InChI=1S/C18H14N2O4S/c1-9-8-23-14-7-15-12(5-11(9)14)10(2)13(17(22)24-15)6-16(21)20-18-19-3-4-25-18/h3-5,7-8H,6H2,1-2H3,(H,19,20,21)
• InChIKey: OIKNZPYBUUCUBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(1,3-thiazol-2-yl)acetamide

Database IDs

• PubChem SID: 164274644
• PubChem CID: 16408685

CALCULATED PROPERTIES

• Acid pKa: 10.382495
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0525146
• LogD (pH = 7.4): 3.0520794
• Log P: 3.052521
• Molar Refractivity: 93.2954 cm^3
• Polarizability: 35.963303 Å^3
• Polar Surface Area: 81.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds