(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one

C23H19NO4S — CID 11836579

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C23H19NO4S/c1-28-20-14-12-17(13-15-20)16-21-22(25)24(19-10-6-3-7-11-19)23(29(21,26)27)18-8-4-2-5-9-18/h2-16,23H,1H3/b21-16-
InChIKeyXSPUVIVTSHCDST-PGMHBOJBSA-N
MW405.48 g/mol
LogP4.20
Rot. Bonds4

About (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one (PubChem CID 11836579) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
PubChem CID11836579
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C23H19NO4S/c1-28-20-14-12-17(13-15-20)16-21-22(25)24(19-10-6-3-7-11-19)23(29(21,26)27)18-8-4-2-5-9-18/h2-16,23H,1H3/b21-16-
InChIKeyXSPUVIVTSHCDST-PGMHBOJBSA-N
XLogP4.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one (CID 11836579) is (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one is COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is XSPUVIVTSHCDST-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-28-20-14-12-17(13-15-20)16-21-22(25)24(19-10-6-3-7-11-19)23(29(21,26)27)18-8-4-2-5-9-18/h2-16,23H,1H3/b21-16-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 405.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 11836579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).