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

C17H13Cl2N3OS — CID 122194400

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c1-11(12-7-8-14(18)15(19)9-12)20-21-17-22(16(23)10-24-17)13-5-3-2-4-6-13/h2-9H,10H2,1H3/b20-11+,21-17+
InChIKeyXUQQXOZTTUIURE-OYBAPSEUSA-N
MW378.28 g/mol
LogP4.85
Rot. Bonds3

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 122194400) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID122194400
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c1-11(12-7-8-14(18)15(19)9-12)20-21-17-22(16(23)10-24-17)13-5-3-2-4-6-13/h2-9H,10H2,1H3/b20-11+,21-17+
InChIKeyXUQQXOZTTUIURE-OYBAPSEUSA-N
XLogP4.85
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.85
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-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 122194400) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SCC(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XUQQXOZTTUIURE-OYBAPSEUSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-11(12-7-8-14(18)15(19)9-12)20-21-17-22(16(23)10-24-17)13-5-3-2-4-6-13/h2-9H,10H2,1H3/b20-11+,21-17+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 378.28 g/mol, XLogP of 4.85, 3 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-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).