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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Related Compounds

CID 79793
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CID 4962399
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CID 2770836
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CID 5147257
CID 5147257
CID 2793382
CID 2793382
CID 11389698
CID 11389698
CID 79258141
CID 79258141
CID 81297300
CID 81297300
CID 165911202
CID 165911202
CID 7058998
CID 7058998
CID 20095332
CID 20095332
CID 56845657
CID 56845657

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).