2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid

C5H4FNO4S — CID 81296533

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CSC1=O
InChIInChI=1S/C5H4FNO4S/c6-3(4(9)10)7-2(8)1-12-5(7)11/h3H,1H2,(H,9,10)
InChIKeyCGFZWGJUXPPGLO-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.06
Rot. Bonds2

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid (PubChem CID 81296533) has the molecular formula C5H4FNO4S and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid
PubChem CID81296533
Molecular FormulaC5H4FNO4S
Molecular Weight193.15 g/mol
Exact Mass192.98
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CSC1=O
InChIInChI=1S/C5H4FNO4S/c6-3(4(9)10)7-2(8)1-12-5(7)11/h3H,1H2,(H,9,10)
InChIKeyCGFZWGJUXPPGLO-UHFFFAOYSA-N
XLogP0.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid (CID 81296533) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid is O=C(O)C(F)N1C(=O)CSC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid?
The InChIKey is CGFZWGJUXPPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO4S/c6-3(4(9)10)7-2(8)1-12-5(7)11/h3H,1H2,(H,9,10).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid has a molecular weight of 193.15 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81296533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).