6-methoxy-3-(2-methyl-1,3-thiazol-5-yl)-2H-chromen-2-one

• ChemBase ID: 185076
• Molecular Formular: C14H11NO3S
• Molecular Mass: 273.30704
• Monoisotopic Mass: 273.04596422
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1sc(nc1)C
• Canonical SMILES: COc1ccc2c(c1)cc(c(=O)o2)c1cnc(s1)C
• InChI: InChI=1S/C14H11NO3S/c1-8-15-7-13(19-8)11-6-9-5-10(17-2)3-4-12(9)18-14(11)16/h3-7H,1-2H3
• InChIKey: XESGAZDOYMTKMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-(2-methyl-1,3-thiazol-5-yl)-2H-chromen-2-one
• IUPAC Traditional name: 6-methoxy-3-(2-methyl-1,3-thiazol-5-yl)chromen-2-one

Database IDs

• PubChem SID: 164240986
• PubChem CID: 765556

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2080653
• LogD (pH = 7.4): 2.208073
• Log P: 2.2080731
• Molar Refractivity: 71.8971 cm^3
• Polarizability: 27.446411 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds