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

C24H20FN3O4S — CID 16627585

IUPAC(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H20FN3O4S/c1-30-20-10-7-17(12-21(20)31-2)14-26-27-24-28(15-19-4-3-11-32-19)23(29)22(33-24)13-16-5-8-18(25)9-6-16/h3-14H,15H2,1-2H3/b22-13-,26-14+,27-24-
InChIKeyRMVOCBGATHJUJR-SHZWRQONSA-N
MW465.51 g/mol
LogP4.94
Rot. Bonds7

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

(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 16627585) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID16627585
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C24H20FN3O4S/c1-30-20-10-7-17(12-21(20)31-2)14-26-27-24-28(15-19-4-3-11-32-19)23(29)22(33-24)13-16-5-8-18(25)9-6-16/h3-14H,15H2,1-2H3/b22-13-,26-14+,27-24-
InChIKeyRMVOCBGATHJUJR-SHZWRQONSA-N
XLogP4.94
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772858
(2E,5Z)-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246777
(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)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627844
(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
(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)-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
(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)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246243
(2Z,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732356
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963420

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 16627585) is (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccc(/C=N/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is RMVOCBGATHJUJR-SHZWRQONSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-30-20-10-7-17(12-21(20)31-2)14-26-27-24-28(15-19-4-3-11-32-19)23(29)22(33-24)13-16-5-8-18(25)9-6-16/h3-14H,15H2,1-2H3/b22-13-,26-14+,27-24-.
What are the key properties of (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 465.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).