(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one

C21H21NO4S2 — CID 8831529

IUPAC(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCCCOc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)ccc1OC
InChIInChI=1S/C21H21NO4S2/c1-4-9-26-17-11-14(7-8-16(17)25-3)12-19-21(24)22(2)20(28-19)13-15(23)18-6-5-10-27-18/h5-8,10-13H,4,9H2,1-3H3/b19-12-,20-13-
InChIKeyCFQAKEQSNPCJFR-YXZJEIOKSA-N
MW415.54 g/mol
LogP2.80
Rot. Bonds7

About (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one (PubChem CID 8831529) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
PubChem CID8831529
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
SMILESCCCOc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)ccc1OC
InChIInChI=1S/C21H21NO4S2/c1-4-9-26-17-11-14(7-8-16(17)25-3)12-19-21(24)22(2)20(28-19)13-15(23)18-6-5-10-27-18/h5-8,10-13H,4,9H2,1-3H3/b19-12-,20-13-
InChIKeyCFQAKEQSNPCJFR-YXZJEIOKSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-[2-methoxy-4-[(Z)-[(2Z)-3-methyl-4-oxo-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 8831515
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831758
(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831442
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
ethyl (2Z)-2-[(5Z)-3-[2-(diethylamino)-2-oxoethyl]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 16555607
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365
(2Z,5E)-3-methyl-5-[(2-nitrophenyl)methylidene]-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831420
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838103
(5E)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6105066
5-[(4-methoxy-3-propoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598244

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one (CID 8831529) is (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is CCCOc1cc(/C=c2\s/c(=C\C(=O)c3cccs3)n(C)c2=O)ccc1OC.
What is the InChIKey of (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
The InChIKey is CFQAKEQSNPCJFR-YXZJEIOKSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-4-9-26-17-11-14(7-8-16(17)25-3)12-19-21(24)22(2)20(28-19)13-15(23)18-6-5-10-27-18/h5-8,10-13H,4,9H2,1-3H3/b19-12-,20-13-.
What are the key properties of (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one has a molecular weight of 415.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).