5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

C12H9FN2O5S — CID 168900981

IUPAC5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(C3=CC(=O)OC3)c2F)S(=O)N1
InChIInChI=1S/C12H9FN2O5S/c13-11-7(6-3-10(18)20-5-6)1-2-8(16)12(11)15-4-9(17)14-21(15)19/h1-3,16H,4-5H2,(H,14,17)
InChIKeyWICFREFJQMOAIS-UHFFFAOYSA-N
MW312.28 g/mol
LogP-0.01
Rot. Bonds2

About 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900981) has the molecular formula C12H9FN2O5S and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900981
Molecular FormulaC12H9FN2O5S
Molecular Weight312.28 g/mol
Exact Mass312.02
IUPAC Name5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(C3=CC(=O)OC3)c2F)S(=O)N1
InChIInChI=1S/C12H9FN2O5S/c13-11-7(6-3-10(18)20-5-6)1-2-8(16)12(11)15-4-9(17)14-21(15)19/h1-3,16H,4-5H2,(H,14,17)
InChIKeyWICFREFJQMOAIS-UHFFFAOYSA-N
XLogP-0.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (CID 168900981) is 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(C3=CC(=O)OC3)c2F)S(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is WICFREFJQMOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5S/c13-11-7(6-3-10(18)20-5-6)1-2-8(16)12(11)15-4-9(17)14-21(15)19/h1-3,16H,4-5H2,(H,14,17).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 312.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).