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

C5H7NO3S2 — CID 56845657

IUPAC2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1S
InChIInChI=1S/C5H7NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h5,10H,1-2H2,(H,8,9)
InChIKeyBJSHILSKPHIUEB-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.14
Rot. Bonds2

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

2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 56845657) has the molecular formula C5H7NO3S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid
PubChem CID56845657
Molecular FormulaC5H7NO3S2
Molecular Weight193.25 g/mol
Exact Mass192.99
IUPAC Name2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1S
InChIInChI=1S/C5H7NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h5,10H,1-2H2,(H,8,9)
InChIKeyBJSHILSKPHIUEB-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid (CID 56845657) is 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1C(=O)CSC1S.
What is the InChIKey of 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is BJSHILSKPHIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h5,10H,1-2H2,(H,8,9).
What are the key properties of 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid?
2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 193.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 56845657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).