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

C23H19NO4S — CID 4623143

IUPAC5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2C(=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
InChIKeyXSPUVIVTSHCDST-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.20
Rot. Bonds4

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

5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one (PubChem CID 4623143) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
PubChem CID4623143
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2C(=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
InChIKeyXSPUVIVTSHCDST-UHFFFAOYSA-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'}

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Related Compounds

(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 11836579
(5E)-3-(3-chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470273
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274289
(2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
CID 1243717
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
CID 71659072

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one (CID 4623143) is 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one is COc1ccc(C=C2C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is XSPUVIVTSHCDST-UHFFFAOYSA-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.
What are the key properties of 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one?
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 5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4623143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).