(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

C21H16N2O5S — CID 18837526

IUPAC(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1N1C(=O)S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C1=O
InChIInChI=1S/C21H16N2O5S/c1-3-28-16-11-7-6-10-15(16)23-20(26)18(29-21(23)27)17-13-8-4-5-9-14(13)22(12(2)24)19(17)25/h4-11H,3H2,1-2H3/b18-17-
InChIKeyOLCWYOPLZIKCQL-ZCXUNETKSA-N
MW408.44 g/mol
LogP3.59
Rot. Bonds3

About (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837526) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837526
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC Name(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccccc1N1C(=O)S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C1=O
InChIInChI=1S/C21H16N2O5S/c1-3-28-16-11-7-6-10-15(16)23-20(26)18(29-21(23)27)17-13-8-4-5-9-14(13)22(12(2)24)19(17)25/h4-11H,3H2,1-2H3/b18-17-
InChIKeyOLCWYOPLZIKCQL-ZCXUNETKSA-N
XLogP3.59
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377817
5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23989969
3-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046245
3-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046242
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837460
6-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2046241
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842816
(5Z)-3-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837510
2-[2-[(E)-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43862637
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837461
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837520

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837526) is (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccccc1N1C(=O)S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C1=O.
What is the InChIKey of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OLCWYOPLZIKCQL-ZCXUNETKSA-N. The full InChI is InChI=1S/C21H16N2O5S/c1-3-28-16-11-7-6-10-15(16)23-20(26)18(29-21(23)27)17-13-8-4-5-9-14(13)22(12(2)24)19(17)25/h4-11H,3H2,1-2H3/b18-17-.
What are the key properties of (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 408.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).