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

C10H5Cl2NO2S — CID 1206261

IUPAC(5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+
InChIKeyDKZRDZSTKOFPLQ-XBXARRHUSA-N
MW274.13 g/mol
LogP3.32
Rot. Bonds1

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

(5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1206261) has the molecular formula C10H5Cl2NO2S and a molecular weight of 274.13 g/mol. Its IUPAC name is (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1206261
Molecular FormulaC10H5Cl2NO2S
Molecular Weight274.13 g/mol
Exact Mass272.94
IUPAC Name(5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S1
InChIInChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+
InChIKeyDKZRDZSTKOFPLQ-XBXARRHUSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1206261) is (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S1.
What is the InChIKey of (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DKZRDZSTKOFPLQ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H5Cl2NO2S/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4+.
What are the key properties of (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 274.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1206261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).