(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C24H19Cl2N3O5S — CID 135772996

IUPAC(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2\S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)cc(OC)c1O
InChIInChI=1S/C24H19Cl2N3O5S/c1-32-18-9-14(10-19(33-2)22(18)30)12-27-28-24-29(13-16-6-4-8-34-16)23(31)20(35-24)11-15-5-3-7-17(25)21(15)26/h3-12,30H,13H2,1-2H3/b20-11-,27-12-,28-24+
InChIKeyCSKMYVUGMLPZCE-HOAHKQQZSA-N
MW532.41 g/mol
LogP5.82
Rot. Bonds7

About (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135772996) has the molecular formula C24H19Cl2N3O5S and a molecular weight of 532.41 g/mol. Its IUPAC name is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135772996
Molecular FormulaC24H19Cl2N3O5S
Molecular Weight532.41 g/mol
Exact Mass531.04
IUPAC Name(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2\S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)cc(OC)c1O
InChIInChI=1S/C24H19Cl2N3O5S/c1-32-18-9-14(10-19(33-2)22(18)30)12-27-28-24-29(13-16-6-4-8-34-16)23(31)20(35-24)11-15-5-3-7-17(25)21(15)26/h3-12,30H,13H2,1-2H3/b20-11-,27-12-,28-24+
InChIKeyCSKMYVUGMLPZCE-HOAHKQQZSA-N
XLogP5.82
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.41
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19245947
(2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16628095
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772860
(2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627844
(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246739
(2Z,5Z)-2-[(E)-(2,3-dichlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628093
(2E,5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772997
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(E)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628016
(2Z,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627602
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628147
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 135773019
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19245957

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135772996) is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N\N=C2\S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)cc(OC)c1O.
What is the InChIKey of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CSKMYVUGMLPZCE-HOAHKQQZSA-N. The full InChI is InChI=1S/C24H19Cl2N3O5S/c1-32-18-9-14(10-19(33-2)22(18)30)12-27-28-24-29(13-16-6-4-8-34-16)23(31)20(35-24)11-15-5-3-7-17(25)21(15)26/h3-12,30H,13H2,1-2H3/b20-11-,27-12-,28-24+.
What are the key properties of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 532.41 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135772996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).