(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one

C23H19N3O3S — CID 6863533

IUPAC(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N/Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H19N3O3S/c1-29-20-14-16(12-13-19(20)27)15-21-22(28)26(18-10-6-3-7-11-18)23(30-21)25-24-17-8-4-2-5-9-17/h2-15,24,27H,1H3/b21-15+,25-23+
InChIKeyFFOYPOGFSNIMCW-DIRPYQRSSA-N
MW417.49 g/mol
LogP4.90
Rot. Bonds5

About (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one

(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 6863533) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID6863533
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N/Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H19N3O3S/c1-29-20-14-16(12-13-19(20)27)15-21-22(28)26(18-10-6-3-7-11-18)23(30-21)25-24-17-8-4-2-5-9-17/h2-15,24,27H,1H3/b21-15+,25-23+
InChIKeyFFOYPOGFSNIMCW-DIRPYQRSSA-N
XLogP4.90
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5E)-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484734
4-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 2769892
(5Z)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 1238642
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-methylimino-3-phenyl-1,3-thiazolidin-4-one
CID 46238365
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1225145
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1417977
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1364241
2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 122713849
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037
5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 76659779
N-[3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4617574

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one (CID 6863533) is (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one is COc1cc(/C=C2/S/C(=N/Nc3ccccc3)N(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is FFOYPOGFSNIMCW-DIRPYQRSSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-20-14-16(12-13-19(20)27)15-21-22(28)26(18-10-6-3-7-11-18)23(30-21)25-24-17-8-4-2-5-9-17/h2-15,24,27H,1H3/b21-15+,25-23+.
What are the key properties of (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 417.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6863533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).