(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

C20H19NO5S — CID 2004955

IUPAC(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1
InChIInChI=1S/C20H19NO5S/c1-3-25-15-8-6-14(7-9-15)21-19(23)18(27-20(21)24)12-13-5-10-16(22)17(11-13)26-4-2/h5-12,22H,3-4H2,1-2H3/b18-12-
InChIKeyZOSLDNIESADKSQ-PDGQHHTCSA-N
MW385.44 g/mol
LogP4.43
Rot. Bonds6

About (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2004955) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID2004955
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1
InChIInChI=1S/C20H19NO5S/c1-3-25-15-8-6-14(7-9-15)21-19(23)18(27-20(21)24)12-13-5-10-16(22)17(11-13)26-4-2/h5-12,22H,3-4H2,1-2H3/b18-12-
InChIKeyZOSLDNIESADKSQ-PDGQHHTCSA-N
XLogP4.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.43
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'}

Analyze (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

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(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
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(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
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CID 1377804
3-(4-Fluorophenyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
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(5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1745927
(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2000795
5-(3,4-Dihydroxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 2263390
2-[(4Z)-1-[4-(difluoromethoxy)phenyl]-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylpropanamide
CID 24240004
(Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 2004955) is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZOSLDNIESADKSQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-3-25-15-8-6-14(7-9-15)21-19(23)18(27-20(21)24)12-13-5-10-16(22)17(11-13)26-4-2/h5-12,22H,3-4H2,1-2H3/b18-12-.
What are the key properties of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(4-ethoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2004955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).