(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one

C23H17Cl2N3OS — CID 122194404

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(c2ccccc2)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3OS/c1-15(17-12-13-19(24)20(25)14-17)26-27-23-28(18-10-6-3-7-11-18)22(29)21(30-23)16-8-4-2-5-9-16/h2-14,21H,1H3/b26-15+,27-23+
InChIKeyUTVUMCRVYPSVCJ-VJFFFQIWSA-N
MW454.38 g/mol
LogP6.59
Rot. Bonds4

About (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one (PubChem CID 122194404) has the molecular formula C23H17Cl2N3OS and a molecular weight of 454.38 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one
PubChem CID122194404
Molecular FormulaC23H17Cl2N3OS
Molecular Weight454.38 g/mol
Exact Mass453.05
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(c2ccccc2)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3OS/c1-15(17-12-13-19(24)20(25)14-17)26-27-23-28(18-10-6-3-7-11-18)22(29)21(30-23)16-8-4-2-5-9-16/h2-14,21H,1H3/b26-15+,27-23+
InChIKeyUTVUMCRVYPSVCJ-VJFFFQIWSA-N
XLogP6.59
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.38
LogP ≤ 56.59
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one (CID 122194404) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SC(c2ccccc2)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one?
The InChIKey is UTVUMCRVYPSVCJ-VJFFFQIWSA-N. The full InChI is InChI=1S/C23H17Cl2N3OS/c1-15(17-12-13-19(24)20(25)14-17)26-27-23-28(18-10-6-3-7-11-18)22(29)21(30-23)16-8-4-2-5-9-16/h2-14,21H,1H3/b26-15+,27-23+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one has a molecular weight of 454.38 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).