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

C20H14BrN3O3S2 — CID 135732576

IUPAC(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)S/C(=N\N=C\c2cc(Br)ccc2O)N1Cc1ccco1
InChIInChI=1S/C20H14BrN3O3S2/c21-14-5-6-17(25)13(9-14)11-22-23-20-24(12-15-3-1-7-27-15)19(26)18(29-20)10-16-4-2-8-28-16/h1-11,25H,12H2/b18-10-,22-11+,23-20-
InChIKeyWOXKALDDEBNYDE-CUHOASQCSA-N
MW488.39 g/mol
LogP5.32
Rot. Bonds5

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

(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135732576) has the molecular formula C20H14BrN3O3S2 and a molecular weight of 488.39 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135732576
Molecular FormulaC20H14BrN3O3S2
Molecular Weight488.39 g/mol
Exact Mass486.97
IUPAC Name(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)S/C(=N\N=C\c2cc(Br)ccc2O)N1Cc1ccco1
InChIInChI=1S/C20H14BrN3O3S2/c21-14-5-6-17(25)13(9-14)11-22-23-20-24(12-15-3-1-7-27-15)19(26)18(29-20)10-16-4-2-8-28-16/h1-11,25H,12H2/b18-10-,22-11+,23-20-
InChIKeyWOXKALDDEBNYDE-CUHOASQCSA-N
XLogP5.32
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.32
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)-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135732450
(2E,5Z)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(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)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773097
(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
(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
(2Z,5Z)-5-benzylidene-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732608
(2Z,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 16628507
(2Z,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627862
2-[2-[(Z)-[(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 135773105
(2E,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246445

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135732576) is (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccs2)S/C(=N\N=C\c2cc(Br)ccc2O)N1Cc1ccco1.
What is the InChIKey of (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is WOXKALDDEBNYDE-CUHOASQCSA-N. The full InChI is InChI=1S/C20H14BrN3O3S2/c21-14-5-6-17(25)13(9-14)11-22-23-20-24(12-15-3-1-7-27-15)19(26)18(29-20)10-16-4-2-8-28-16/h1-11,25H,12H2/b18-10-,22-11+,23-20-.
What are the key properties of (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 488.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).