(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione

C6H4N2O4S2 — CID 1384491

IUPAC(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@H]2SC(=O)NC2=O)S1
InChIInChI=1S/C6H4N2O4S2/c9-3-1(13-5(11)7-3)2-4(10)8-6(12)14-2/h1-2H,(H,7,9,11)(H,8,10,12)/t1-,2+
InChIKeyAZCJABZHQBRNCG-XIXRPRMCSA-N
MW232.24 g/mol
LogP-0.31
Rot. Bonds1

About (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione

(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 1384491) has the molecular formula C6H4N2O4S2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione
PubChem CID1384491
Molecular FormulaC6H4N2O4S2
Molecular Weight232.24 g/mol
Exact Mass231.96
IUPAC Name(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@H]2SC(=O)NC2=O)S1
InChIInChI=1S/C6H4N2O4S2/c9-3-1(13-5(11)7-3)2-4(10)8-6(12)14-2/h1-2H,(H,7,9,11)(H,8,10,12)/t1-,2+
InChIKeyAZCJABZHQBRNCG-XIXRPRMCSA-N
XLogP-0.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione (CID 1384491) is (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)[C@H]([C@H]2SC(=O)NC2=O)S1.
What is the InChIKey of (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AZCJABZHQBRNCG-XIXRPRMCSA-N. The full InChI is InChI=1S/C6H4N2O4S2/c9-3-1(13-5(11)7-3)2-4(10)8-6(12)14-2/h1-2H,(H,7,9,11)(H,8,10,12)/t1-,2+.
What are the key properties of (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione?
(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1384491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).