(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C13H11N3O4S2 — CID 42263045

IUPAC(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCNC1=O
InChIInChI=1S/C13H11N3O4S2/c17-10(15-4-3-14-12(15)19)7-16-11(18)9(22-13(16)20)6-8-2-1-5-21-8/h1-2,5-6H,3-4,7H2,(H,14,19)/b9-6-
InChIKeyGTHHHQRSZHEAIM-TWGQIWQCSA-N
MW337.38 g/mol
LogP1.34
Rot. Bonds3

About (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 42263045) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID42263045
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCNC1=O
InChIInChI=1S/C13H11N3O4S2/c17-10(15-4-3-14-12(15)19)7-16-11(18)9(22-13(16)20)6-8-2-1-5-21-8/h1-2,5-6H,3-4,7H2,(H,14,19)/b9-6-
InChIKeyGTHHHQRSZHEAIM-TWGQIWQCSA-N
XLogP1.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 43018863
(5E)-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 7344287
(5E)-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 55518461
2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N,N-bis(prop-2-enyl)acetamide
CID 75853171
N-cyclopropyl-2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 42261514
(5Z)-3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 24619260
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 51143857
(5E)-3-[2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 92946591
(5E)-3-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6226853
4-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 2026565
4-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
CID 4273185
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-quinolin-5-ylacetamide
CID 24619298

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 42263045) is (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1CCNC1=O.
What is the InChIKey of (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is GTHHHQRSZHEAIM-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c17-10(15-4-3-14-12(15)19)7-16-11(18)9(22-13(16)20)6-8-2-1-5-21-8/h1-2,5-6H,3-4,7H2,(H,14,19)/b9-6-.
What are the key properties of (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 42263045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).