3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione

C11H6N2O4S — CID 3434262

IUPAC3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H6N2O4S/c14-8-5-18-11(17)12(8)13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2
InChIKeyUYDIAXCNMIKNFD-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.89
Rot. Bonds1

About 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione

3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 3434262) has the molecular formula C11H6N2O4S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
PubChem CID3434262
Molecular FormulaC11H6N2O4S
Molecular Weight262.25 g/mol
Exact Mass262.00
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H6N2O4S/c14-8-5-18-11(17)12(8)13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2
InChIKeyUYDIAXCNMIKNFD-UHFFFAOYSA-N
XLogP0.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 3780727
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
3-[[4-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22370246
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
CID 11098803
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
(5E)-5-benzylidene-3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
CID 26790172
(1S,2S,6S,7S)-4-(1,3-dioxoisoindol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18389799
2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione
CID 11758694
2-morpholin-4-ylisoindole-1,3-dione
CID 57312191
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
CID 135776448
2-(1,3-dioxoisoindol-2-yl)-5-[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
CID 3108913
2-(1,3-dithiolan-2-ylmethyl)isoindole-1,3-dione
CID 135060706

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione (CID 3434262) is 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is UYDIAXCNMIKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O4S/c14-8-5-18-11(17)12(8)13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione?
3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 262.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3434262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).