(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione

C18H11Cl2NO4S — CID 126843699

IUPAC(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H11Cl2NO4S/c1-25-13-6-3-10(4-7-13)16(22)21-17(23)15(26-18(21)24)8-11-2-5-12(19)9-14(11)20/h2-9H,1H3/b15-8+
InChIKeySTZWLAUPQSHWAI-OVCLIPMQSA-N
MW408.26 g/mol
LogP4.88
Rot. Bonds3

About (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126843699) has the molecular formula C18H11Cl2NO4S and a molecular weight of 408.26 g/mol. Its IUPAC name is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione
PubChem CID126843699
Molecular FormulaC18H11Cl2NO4S
Molecular Weight408.26 g/mol
Exact Mass406.98
IUPAC Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H11Cl2NO4S/c1-25-13-6-3-10(4-7-13)16(22)21-17(23)15(26-18(21)24)8-11-2-5-12(19)9-14(11)20/h2-9H,1H3/b15-8+
InChIKeySTZWLAUPQSHWAI-OVCLIPMQSA-N
XLogP4.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4-dichlorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132384
3-benzoyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 171132370
5-[(2,4-dichlorophenyl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515022
(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 11754368
5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione
CID 4246526
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N,N-di(propan-2-yl)acetamide
CID 126208913
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664513
2-[(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 126247443
N-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide
CID 1359029
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836936
2-[(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 126171070

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione (CID 126843699) is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione is COc1ccc(C(=O)N2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is STZWLAUPQSHWAI-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H11Cl2NO4S/c1-25-13-6-3-10(4-7-13)16(22)21-17(23)15(26-18(21)24)8-11-2-5-12(19)9-14(11)20/h2-9H,1H3/b15-8+.
What are the key properties of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 408.26 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126843699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).