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

C19H15Cl2N3O3S — CID 135939408

IUPAC(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)c(OC)c1
InChIInChI=1S/C19H15Cl2N3O3S/c1-26-14-6-4-12(16(9-14)27-2)10-22-24-19-23-18(25)17(28-19)7-11-3-5-13(20)8-15(11)21/h3-10H,1-2H3,(H,23,24,25)/b17-7+,22-10+
InChIKeyTWZARSOGDRKSRL-WHZCUSCSSA-N
MW436.32 g/mol
LogP4.60
Rot. Bonds5

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

(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135939408) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135939408
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)c(OC)c1
InChIInChI=1S/C19H15Cl2N3O3S/c1-26-14-6-4-12(16(9-14)27-2)10-22-24-19-23-18(25)17(28-19)7-11-3-5-13(20)8-15(11)21/h3-10H,1-2H3,(H,23,24,25)/b17-7+,22-10+
InChIKeyTWZARSOGDRKSRL-WHZCUSCSSA-N
XLogP4.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(2E,5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135531577
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137207064
(2E,5E)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135599259
(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135889842
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137230485
(5Z)-2-(3-chlorophenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522684
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135535360
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118739
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135531998
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135432394
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137162414

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135939408) is (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=N/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)c(OC)c1.
What is the InChIKey of (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is TWZARSOGDRKSRL-WHZCUSCSSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-26-14-6-4-12(16(9-14)27-2)10-22-24-19-23-18(25)17(28-19)7-11-3-5-13(20)8-15(11)21/h3-10H,1-2H3,(H,23,24,25)/b17-7+,22-10+.
What are the key properties of (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 436.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).