2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid

C5H6FNO3S — CID 81297300

IUPAC2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)C(F)N1CCSC1=O
InChIInChI=1S/C5H6FNO3S/c6-3(4(8)9)7-1-2-11-5(7)10/h3H,1-2H2,(H,8,9)
InChIKeyDNHOFMHJAZPXHT-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.54
Rot. Bonds2

About 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid

2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 81297300) has the molecular formula C5H6FNO3S and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
PubChem CID81297300
Molecular FormulaC5H6FNO3S
Molecular Weight179.17 g/mol
Exact Mass179.01
IUPAC Name2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)C(F)N1CCSC1=O
InChIInChI=1S/C5H6FNO3S/c6-3(4(8)9)7-1-2-11-5(7)10/h3H,1-2H2,(H,8,9)
InChIKeyDNHOFMHJAZPXHT-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid (CID 81297300) is 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid is O=C(O)C(F)N1CCSC1=O.
What is the InChIKey of 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is DNHOFMHJAZPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3S/c6-3(4(8)9)7-1-2-11-5(7)10/h3H,1-2H2,(H,8,9).
What are the key properties of 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid?
2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-oxo-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 81297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).