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

C20H19NO5S — CID 18837276

IUPAC(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3cccc(OC)c3)C2=O)cc1OC
InChIInChI=1S/C20H19NO5S/c1-4-26-16-9-8-13(10-17(16)25-3)11-18-19(22)21(20(23)27-18)14-6-5-7-15(12-14)24-2/h5-12H,4H2,1-3H3/b18-11-
InChIKeyRARSGWNRWXRWDF-WQRHYEAKSA-N
MW385.44 g/mol
LogP4.34
Rot. Bonds6

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

(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837276) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837276
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(c3cccc(OC)c3)C2=O)cc1OC
InChIInChI=1S/C20H19NO5S/c1-4-26-16-9-8-13(10-17(16)25-3)11-18-19(22)21(20(23)27-18)14-6-5-7-15(12-14)24-2/h5-12H,4H2,1-3H3/b18-11-
InChIKeyRARSGWNRWXRWDF-WQRHYEAKSA-N
XLogP4.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.34
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'}

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Related Compounds

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837290
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2022309
3-(4-chlorophenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2902485
(5E)-3-(3-chlorophenyl)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1332240
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 124653534
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352202
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319
ethyl 2-[4-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetate
CID 50873189
3-(3-chlorophenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2910899
2-[4-[(Z)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 1231608
(5Z)-3-(2,4-dimethoxyphenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136286
(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-(2,4-dimethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18840062

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837276) is (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione is CCOc1ccc(/C=C2\SC(=O)N(c3cccc(OC)c3)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RARSGWNRWXRWDF-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-4-26-16-9-8-13(10-17(16)25-3)11-18-19(22)21(20(23)27-18)14-6-5-7-15(12-14)24-2/h5-12H,4H2,1-3H3/b18-11-.
What are the key properties of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 385.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).