5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

C20H20N2O4S — CID 4686921

IUPAC5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C=C2SC(=O)N(CNc3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H20N2O4S/c1-13-4-7-15(8-5-13)21-12-22-19(23)18(27-20(22)24)10-14-6-9-16(25-2)11-17(14)26-3/h4-11,21H,12H2,1-3H3
InChIKeyDIOJGGPLMNYBQL-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.12
Rot. Bonds6

About 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 4686921) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID4686921
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C=C2SC(=O)N(CNc3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H20N2O4S/c1-13-4-7-15(8-5-13)21-12-22-19(23)18(27-20(22)24)10-14-6-9-16(25-2)11-17(14)26-3/h4-11,21H,12H2,1-3H3
InChIKeyDIOJGGPLMNYBQL-UHFFFAOYSA-N
XLogP4.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.12
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'}

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Related Compounds

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 7046116
2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 21215561
2-[5-[(2,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1333494
5-[(2,4-dimethoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 53447609
N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124553338
N-[4-[(Z)-[3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 6529712
(5Z)-5-benzylidene-3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 2318333
3-[5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 3896867
3-[(4-iodoanilino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2865413
N-(3-chloro-4-fluorophenyl)-2-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126233469
(5Z)-3-[(3-chloro-4-methoxyanilino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1205442
N-[5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
CID 3360197

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (CID 4686921) is 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(C=C2SC(=O)N(CNc3ccc(C)cc3)C2=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DIOJGGPLMNYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-4-7-15(8-5-13)21-12-22-19(23)18(27-20(22)24)10-14-6-9-16(25-2)11-17(14)26-3/h4-11,21H,12H2,1-3H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylidene]-3-[(4-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4686921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).