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

C16H9Cl2NO2S — CID 2262190

IUPAC(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C16H9Cl2NO2S/c17-12-8-4-5-10(14(12)18)9-13-15(20)19(16(21)22-13)11-6-2-1-3-7-11/h1-9H/b13-9+
InChIKeyDFNCJBWOFMPZAQ-UKTHLTGXSA-N
MW350.23 g/mol
LogP5.23
Rot. Bonds2

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

(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 2262190) has the molecular formula C16H9Cl2NO2S and a molecular weight of 350.23 g/mol. Its IUPAC name is (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID2262190
Molecular FormulaC16H9Cl2NO2S
Molecular Weight350.23 g/mol
Exact Mass348.97
IUPAC Name(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1
InChIInChI=1S/C16H9Cl2NO2S/c17-12-8-4-5-10(14(12)18)9-13-15(20)19(16(21)22-13)11-6-2-1-3-7-11/h1-9H/b13-9+
InChIKeyDFNCJBWOFMPZAQ-UKTHLTGXSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.23
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1362614
5-[(2-chlorophenyl)methylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2867676
5-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1355881
(5Z)-5-[(2-fluorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251958
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18840547
(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,3-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663635
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18774029
5-[(2,3-dichlorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2866084
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 2262190) is (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is DFNCJBWOFMPZAQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H9Cl2NO2S/c17-12-8-4-5-10(14(12)18)9-13-15(20)19(16(21)22-13)11-6-2-1-3-7-11/h1-9H/b13-9+.
What are the key properties of (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 350.23 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,3-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2262190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).