(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3O4S2 — CID 19246243

IUPAC(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1OC
InChIInChI=1S/C22H19N3O4S2/c1-27-18-8-7-15(11-19(18)28-2)12-20-21(26)25(14-16-5-3-9-29-16)22(31-20)24-23-13-17-6-4-10-30-17/h3-13H,14H2,1-2H3/b20-12-,23-13-,24-22+
InChIKeyDPRFKGOSIUAWGL-ZUYYYZHBSA-N
MW453.55 g/mol
LogP4.86
Rot. Bonds7

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

(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246243) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID19246243
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1OC
InChIInChI=1S/C22H19N3O4S2/c1-27-18-8-7-15(11-19(18)28-2)12-20-21(26)25(14-16-5-3-9-29-16)22(31-20)24-23-13-17-6-4-10-30-17/h3-13H,14H2,1-2H3/b20-12-,23-13-,24-22+
InChIKeyDPRFKGOSIUAWGL-ZUYYYZHBSA-N
XLogP4.86
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.86
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

(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)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246155
(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627585
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963420
(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)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246271
(2E,5Z)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 19245939
(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
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16627903
(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)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 16627854

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246243) is (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1OC.
What is the InChIKey of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DPRFKGOSIUAWGL-ZUYYYZHBSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-27-18-8-7-15(11-19(18)28-2)12-20-21(26)25(14-16-5-3-9-29-16)22(31-20)24-23-13-17-6-4-10-30-17/h3-13H,14H2,1-2H3/b20-12-,23-13-,24-22+.
What are the key properties of (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 453.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).