2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid

C5H5NO3S2 — CID 3037554

IUPAC2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1SC(=S)NC1=O
InChIInChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)
InChIKeyFUQYIQWKYXNCDI-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.02
Rot. Bonds2

About 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid

2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 3037554) has the molecular formula C5H5NO3S2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
PubChem CID3037554
Molecular FormulaC5H5NO3S2
Molecular Weight191.23 g/mol
Exact Mass190.97
IUPAC Name2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1SC(=S)NC1=O
InChIInChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)
InChIKeyFUQYIQWKYXNCDI-UHFFFAOYSA-N
XLogP-0.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid (CID 3037554) is 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid is O=C(O)CC1SC(=S)NC1=O.
What is the InChIKey of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is FUQYIQWKYXNCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10).
What are the key properties of 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid?
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 191.23 g/mol, XLogP of -0.02, 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-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 3037554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).