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

C19H17NO5S — CID 2000795

IUPAC(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1
InChIInChI=1S/C19H17NO5S/c1-3-25-14-7-5-13(6-8-14)20-18(22)17(26-19(20)23)11-12-4-9-15(21)16(10-12)24-2/h4-11,21H,3H2,1-2H3/b17-11-
InChIKeyXPDLBMFYTFUHOC-BOPFTXTBSA-N
MW371.41 g/mol
LogP4.04
Rot. Bonds5

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

(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2000795) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2000795
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1
InChIInChI=1S/C19H17NO5S/c1-3-25-14-7-5-13(6-8-14)20-18(22)17(26-19(20)23)11-12-4-9-15(21)16(10-12)24-2/h4-11,21H,3H2,1-2H3/b17-11-
InChIKeyXPDLBMFYTFUHOC-BOPFTXTBSA-N
XLogP4.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.04
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)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2000795) is (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XPDLBMFYTFUHOC-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-3-25-14-7-5-13(6-8-14)20-18(22)17(26-19(20)23)11-12-4-9-15(21)16(10-12)24-2/h4-11,21H,3H2,1-2H3/b17-11-.
What are the key properties of (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2000795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).