(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C30H22Cl3N3O5S — CID 135732540

IUPAC(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\N=C\c3cc(Cl)ccc3O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C30H22Cl3N3O5S/c1-39-27-11-18(4-9-26(27)41-17-19-5-6-22(32)14-24(19)33)12-28-29(38)36(16-23-3-2-10-40-23)30(42-28)35-34-15-20-13-21(31)7-8-25(20)37/h2-15,37H,16-17H2,1H3/b28-12-,34-15+,35-30-
InChIKeyWIWJHOVAAXSOJH-NGPCXKKMSA-N
MW642.95 g/mol
LogP8.04
Rot. Bonds9

About (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 135732540) has the molecular formula C30H22Cl3N3O5S and a molecular weight of 642.95 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID135732540
Molecular FormulaC30H22Cl3N3O5S
Molecular Weight642.95 g/mol
Exact Mass641.03
IUPAC Name(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\N=C\c3cc(Cl)ccc3O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C30H22Cl3N3O5S/c1-39-27-11-18(4-9-26(27)41-17-19-5-6-22(32)14-24(19)33)12-28-29(38)36(16-23-3-2-10-40-23)30(42-28)35-34-15-20-13-21(31)7-8-25(20)37/h2-15,37H,16-17H2,1H3/b28-12-,34-15+,35-30-
InChIKeyWIWJHOVAAXSOJH-NGPCXKKMSA-N
XLogP8.04
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.95
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2E,5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135772997
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628147
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16628139
(2E,5Z)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246509
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 16628158
(2Z,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627602
(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16963389
2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 16628172
N-(4-chlorophenyl)-2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 16628166
(2E,5Z)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(3,4-dimethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 19246155
2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 16628167
2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 19246544

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 135732540) is (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N\N=C\c3cc(Cl)ccc3O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is WIWJHOVAAXSOJH-NGPCXKKMSA-N. The full InChI is InChI=1S/C30H22Cl3N3O5S/c1-39-27-11-18(4-9-26(27)41-17-19-5-6-22(32)14-24(19)33)12-28-29(38)36(16-23-3-2-10-40-23)30(42-28)35-34-15-20-13-21(31)7-8-25(20)37/h2-15,37H,16-17H2,1H3/b28-12-,34-15+,35-30-.
What are the key properties of (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 642.95 g/mol, XLogP of 8.04, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135732540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).