(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C18H12Cl2N4O4S — CID 135599259

IUPAC(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N/N=C\c2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C18H12Cl2N4O4S/c1-28-15-5-4-13(24(26)27)6-11(15)7-16-17(25)22-18(29-16)23-21-9-10-2-3-12(19)8-14(10)20/h2-9H,1H3,(H,22,23,25)/b16-7+,21-9-
InChIKeyACGKHXRJISVMES-MVSUSHIPSA-N
MW451.29 g/mol
LogP4.50
Rot. Bonds5

About (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135599259) has the molecular formula C18H12Cl2N4O4S and a molecular weight of 451.29 g/mol. Its IUPAC name is (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135599259
Molecular FormulaC18H12Cl2N4O4S
Molecular Weight451.29 g/mol
Exact Mass450.00
IUPAC Name(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N/N=C\c2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C18H12Cl2N4O4S/c1-28-15-5-4-13(24(26)27)6-11(15)7-16-17(25)22-18(29-16)23-21-9-10-2-3-12(19)8-14(10)20/h2-9H,1H3,(H,22,23,25)/b16-7+,21-9-
InChIKeyACGKHXRJISVMES-MVSUSHIPSA-N
XLogP4.50
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135889842
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135460162
(2E,5E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135824799
(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135939408
(2Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135683601
(2E)-2-[(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135828153
methyl (2E)-2-[(2Z)-2-[(2-fluoro-5-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924467
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
2-(4-ethoxyphenyl)imino-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522533
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135531998
(5E)-2-(2-chloro-4-nitrophenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063802
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-chloro-2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137019986

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135599259) is (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N/N=C\c2ccc(Cl)cc2Cl)NC1=O.
What is the InChIKey of (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ACGKHXRJISVMES-MVSUSHIPSA-N. The full InChI is InChI=1S/C18H12Cl2N4O4S/c1-28-15-5-4-13(24(26)27)6-11(15)7-16-17(25)22-18(29-16)23-21-9-10-2-3-12(19)8-14(10)20/h2-9H,1H3,(H,22,23,25)/b16-7+,21-9-.
What are the key properties of (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 451.29 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135599259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).