(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

C23H20N4O4S — CID 19245939

IUPAC(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2\S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C23H20N4O4S/c1-29-19-8-7-17(11-20(19)30-2)14-25-26-23-27(15-18-6-4-10-31-18)22(28)21(32-23)12-16-5-3-9-24-13-16/h3-14H,15H2,1-2H3/b21-12-,25-14-,26-23+
InChIKeyAHICLHDZQIYQNW-KKMIUPGTSA-N
MW448.50 g/mol
LogP4.20
Rot. Bonds7

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

(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 19245939) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID19245939
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2\S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C23H20N4O4S/c1-29-19-8-7-17(11-20(19)30-2)14-25-26-23-27(15-18-6-4-10-31-18)22(28)21(32-23)12-16-5-3-9-24-13-16/h3-14H,15H2,1-2H3/b21-12-,25-14-,26-23+
InChIKeyAHICLHDZQIYQNW-KKMIUPGTSA-N
XLogP4.20
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627585
(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246155
(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246108
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 19245959
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19245957
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246595
(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)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246243
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963420
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19246423
(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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 19245939) is (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is COc1ccc(/C=N\N=C2\S/C(=C\c3cccnc3)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is AHICLHDZQIYQNW-KKMIUPGTSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-29-19-8-7-17(11-20(19)30-2)14-25-26-23-27(15-18-6-4-10-31-18)22(28)21(32-23)12-16-5-3-9-24-13-16/h3-14H,15H2,1-2H3/b21-12-,25-14-,26-23+.
What are the key properties of (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 448.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19245939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).