(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione

C9H5ClN2O2S — CID 1274950

IUPAC(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)nc2)S1
InChIInChI=1S/C9H5ClN2O2S/c10-7-2-1-5(4-11-7)3-6-8(13)12-9(14)15-6/h1-4H,(H,12,13,14)/b6-3+
InChIKeyLZXOGHXTQAWNBJ-ZZXKWVIFSA-N
MW240.67 g/mol
LogP2.06
Rot. Bonds1

About (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1274950) has the molecular formula C9H5ClN2O2S and a molecular weight of 240.67 g/mol. Its IUPAC name is (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1274950
Molecular FormulaC9H5ClN2O2S
Molecular Weight240.67 g/mol
Exact Mass239.98
IUPAC Name(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)nc2)S1
InChIInChI=1S/C9H5ClN2O2S/c10-7-2-1-5(4-11-7)3-6-8(13)12-9(14)15-6/h1-4H,(H,12,13,14)/b6-3+
InChIKeyLZXOGHXTQAWNBJ-ZZXKWVIFSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Rhodanine, 5-(4-pyridylmethylene)-
CID 1381461
Thiacloprid amide
CID 86222983
(Z)-5-(pyridin-2-ylmethylene)thiazolidine-2,4-dione
CID 1204987
5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione
CID 1398761
(5Z)-3-propyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 134141813
5-(3-Pyridylmethylene)rhodanine
CID 1207357
2-Chloro-N-{2-[2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl}acetamide
CID 2434777
5-(4-Pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1381460
(5Z)-4-hydroxy-5-(pyridin-3-ylmethylidene)-1,3-thiazol-2(5H)-one
CID 1275119
Thiacloprid-amide
CID 16212161
2-Imino-5-(3-pyridylmethylene)-1,3-thiazolidin-4-one
CID 1379883
(5E)-3-(propan-2-yl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 2584870

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1274950) is (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Cl)nc2)S1.
What is the InChIKey of (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LZXOGHXTQAWNBJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H5ClN2O2S/c10-7-2-1-5(4-11-7)3-6-8(13)12-9(14)15-6/h1-4H,(H,12,13,14)/b6-3+.
What are the key properties of (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 240.67 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(6-chloro-3-pyridinyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1274950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).