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

C12H11NO4S — CID 1379738

IUPAC(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)NC2=O)c(OC)c1
InChIInChI=1S/C12H11NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-6H,1-2H3,(H,13,14,15)/b10-5-
InChIKeyFVXJTXWHZJSCSP-YHYXMXQVSA-N
MW265.29 g/mol
LogP2.03
Rot. Bonds3

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

(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1379738) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1379738
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)NC2=O)c(OC)c1
InChIInChI=1S/C12H11NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-6H,1-2H3,(H,13,14,15)/b10-5-
InChIKeyFVXJTXWHZJSCSP-YHYXMXQVSA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Sklb-010
CID 5373936
5-(3-Methoxybenzylidene)thiazolidine-2,4-dione
CID 1243769
5-(4-Methoxybenzylidene)rhodanine
CID 2787034
(Z)-5-(2,4-dihydroxybenzylidene)thiazolidine-2,4-dione
CID 6280959
5-(p-Methoxybenzylidene)rhodanine
CID 1241606
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
(5Z)-5-{[4-(trifluoromethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25189322
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5750547
(5E)-2-mercapto-5-(4-methoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 1241605
(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2379271
5-(2-Methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 3004477

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1379738) is (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)NC2=O)c(OC)c1.
What is the InChIKey of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FVXJTXWHZJSCSP-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-6H,1-2H3,(H,13,14,15)/b10-5-.
What are the key properties of (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 265.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1379738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).