(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H15Cl2N3OS — CID 135804785

IUPAC(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=N/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-2-4-12(5-3-11)10-21-23-18-22-17(24)16(25-18)9-13-8-14(19)6-7-15(13)20/h2-8,10,16H,9H2,1H3,(H,22,23,24)
InChIKeySIALNCCVAMHIOK-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.47
Rot. Bonds4

About (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135804785) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135804785
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=N/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-2-4-12(5-3-11)10-21-23-18-22-17(24)16(25-18)9-13-8-14(19)6-7-15(13)20/h2-8,10,16H,9H2,1H3,(H,22,23,24)
InChIKeySIALNCCVAMHIOK-UHFFFAOYSA-N
XLogP4.47
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135645367
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135782621
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711996
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
(2E,5S)-5-[(2,5-dichlorophenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852036
(2Z)-5-[(3-chlorophenyl)methyl]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473262
(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135782605
(2E)-2-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711989
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135711984

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135804785) is (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(C=N/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1.
What is the InChIKey of (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SIALNCCVAMHIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11-2-4-12(5-3-11)10-21-23-18-22-17(24)16(25-18)9-13-8-14(19)6-7-15(13)20/h2-8,10,16H,9H2,1H3,(H,22,23,24).
What are the key properties of (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 392.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135804785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).