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

C20H15N3O3S2 — CID 135732450

IUPAC(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C20H15N3O3S2/c24-17-8-2-1-5-14(17)12-21-22-20-23(13-15-6-3-9-26-15)19(25)18(28-20)11-16-7-4-10-27-16/h1-12,24H,13H2/b18-11-,21-12+,22-20-
InChIKeyGAIZIUTYSRPTED-GZFVJNORSA-N
MW409.49 g/mol
LogP4.55
Rot. Bonds5

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

(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135732450) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135732450
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC Name(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1
InChIInChI=1S/C20H15N3O3S2/c24-17-8-2-1-5-14(17)12-21-22-20-23(13-15-6-3-9-26-15)19(25)18(28-20)11-16-7-4-10-27-16/h1-12,24H,13H2/b18-11-,21-12+,22-20-
InChIKeyGAIZIUTYSRPTED-GZFVJNORSA-N
XLogP4.55
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135732576
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732448
(2Z,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732467
(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 19246162
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 16627798
(2E,5Z)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135772941
(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)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246999
(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)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773142
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16627903

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135732450) is (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccs2)S/C(=N\N=C\c2ccccc2O)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GAIZIUTYSRPTED-GZFVJNORSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c24-17-8-2-1-5-14(17)12-21-22-20-23(13-15-6-3-9-26-15)19(25)18(28-20)11-16-7-4-10-27-16/h1-12,24H,13H2/b18-11-,21-12+,22-20-.
What are the key properties of (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 409.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).