(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C25H23N3O5S — CID 135732402

IUPAC(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=N/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H23N3O5S/c1-3-32-22-13-18(8-11-21(22)29)15-26-27-25-28(16-20-5-4-12-33-20)24(30)23(34-25)14-17-6-9-19(31-2)10-7-17/h4-15,29H,3,16H2,1-2H3/b23-14-,26-15+,27-25-
InChIKeyMBMWXCGUFJFEGQ-KBPURUJASA-N
MW477.54 g/mol
LogP4.90
Rot. Bonds8

About (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135732402) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135732402
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=N/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C25H23N3O5S/c1-3-32-22-13-18(8-11-21(22)29)15-26-27-25-28(16-20-5-4-12-33-20)24(30)23(34-25)14-17-6-9-19(31-2)10-7-17/h4-15,29H,3,16H2,1-2H3/b23-14-,26-15+,27-25-
InChIKeyMBMWXCGUFJFEGQ-KBPURUJASA-N
XLogP4.90
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.90
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'}

Analyze (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
(2E,5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772942
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19245980
(2E,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772858
(2E,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135772921
(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732423
(2E,5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-[(Z)-(2-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246905
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772941
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772860
(2E,5Z)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246509
(2E,5Z)-2-[(Z)-(3-bromophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 19246638
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246684

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135732402) is (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1cc(/C=N/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MBMWXCGUFJFEGQ-KBPURUJASA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-3-32-22-13-18(8-11-21(22)29)15-26-27-25-28(16-20-5-4-12-33-20)24(30)23(34-25)14-17-6-9-19(31-2)10-7-17/h4-15,29H,3,16H2,1-2H3/b23-14-,26-15+,27-25-.
What are the key properties of (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 477.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).