(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C24H20Br2N4O3S — CID 135773144

IUPAC(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/N=C\c3cc(Br)cc(Br)c3O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H20Br2N4O3S/c1-29(2)18-7-5-15(6-8-18)10-21-23(32)30(14-19-4-3-9-33-19)24(34-21)28-27-13-16-11-17(25)12-20(26)22(16)31/h3-13,31H,14H2,1-2H3/b21-10-,27-13-,28-24+
InChIKeySZOWJOIMUKKTDC-FXADJXAASA-N
MW604.32 g/mol
LogP6.08
Rot. Bonds6

About (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 135773144) has the molecular formula C24H20Br2N4O3S and a molecular weight of 604.32 g/mol. Its IUPAC name is (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID135773144
Molecular FormulaC24H20Br2N4O3S
Molecular Weight604.32 g/mol
Exact Mass601.96
IUPAC Name(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\S/C(=N/N=C\c3cc(Br)cc(Br)c3O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C24H20Br2N4O3S/c1-29(2)18-7-5-15(6-8-18)10-21-23(32)30(14-19-4-3-9-33-19)24(34-21)28-27-13-16-11-17(25)12-20(26)22(16)31/h3-13,31H,14H2,1-2H3/b21-10-,27-13-,28-24+
InChIKeySZOWJOIMUKKTDC-FXADJXAASA-N
XLogP6.08
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.32
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', '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)-5-benzylidene-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135732608
(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)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135773086
(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
(2Z,5Z)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135732621
(2Z,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627819
(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246271
(2Z,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16963431
(2Z,5Z)-5-[(4-bromophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 16628369
(2E,5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(3-phenoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246402
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732315
(2Z,5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732467

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 135773144) is (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\S/C(=N/N=C\c3cc(Br)cc(Br)c3O)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is SZOWJOIMUKKTDC-FXADJXAASA-N. The full InChI is InChI=1S/C24H20Br2N4O3S/c1-29(2)18-7-5-15(6-8-18)10-21-23(32)30(14-19-4-3-9-33-19)24(34-21)28-27-13-16-11-17(25)12-20(26)22(16)31/h3-13,31H,14H2,1-2H3/b21-10-,27-13-,28-24+.
What are the key properties of (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 604.32 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135773144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).