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

C5H5NO4S — CID 2770836

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1=O
InChIInChI=1S/C5H5NO4S/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChIKeyWHBNKGILKCASDH-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.23
Rot. Bonds2

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

2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 2770836) has the molecular formula C5H5NO4S and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
PubChem CID2770836
Molecular FormulaC5H5NO4S
Molecular Weight175.16 g/mol
Exact Mass174.99
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1=O
InChIInChI=1S/C5H5NO4S/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)
InChIKeyWHBNKGILKCASDH-UHFFFAOYSA-N
XLogP-0.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)acetic acid?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (CID 2770836) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1C(=O)CSC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is WHBNKGILKCASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4S/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 175.16 g/mol, XLogP of -0.23, 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)acetic acid is sourced from PubChem (CID 2770836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).