(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C17H14N2O4S — CID 58423183

IUPAC(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)c(-c2ccncc2)cc1OC
InChIInChI=1S/C17H14N2O4S/c1-22-13-7-11(8-15-16(20)19-17(21)24-15)12(9-14(13)23-2)10-3-5-18-6-4-10/h3-9H,1-2H3,(H,19,20,21)/b15-8-
InChIKeyYSXGBIUDHZBYIG-NVNXTCNLSA-N
MW342.38 g/mol
LogP3.09
Rot. Bonds4

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

(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 58423183) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID58423183
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)c(-c2ccncc2)cc1OC
InChIInChI=1S/C17H14N2O4S/c1-22-13-7-11(8-15-16(20)19-17(21)24-15)12(9-14(13)23-2)10-3-5-18-6-4-10/h3-9H,1-2H3,(H,19,20,21)/b15-8-
InChIKeyYSXGBIUDHZBYIG-NVNXTCNLSA-N
XLogP3.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 58423183) is (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)NC2=O)c(-c2ccncc2)cc1OC.
What is the InChIKey of (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YSXGBIUDHZBYIG-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-13-7-11(8-15-16(20)19-17(21)24-15)12(9-14(13)23-2)10-3-5-18-6-4-10/h3-9H,1-2H3,(H,19,20,21)/b15-8-.
What are the key properties of (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 342.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58423183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).