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

C19H17Cl2N3OS — CID 122194402

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17Cl2N3OS/c1-3-17-18(25)24(14-7-5-4-6-8-14)19(26-17)23-22-12(2)13-9-10-15(20)16(21)11-13/h4-11,17H,3H2,1-2H3/b22-12+,23-19+
InChIKeyBSCOAHREYLAFNE-YXLIPSETSA-N
MW406.34 g/mol
LogP5.63
Rot. Bonds4

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 122194402) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one
PubChem CID122194402
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17Cl2N3OS/c1-3-17-18(25)24(14-7-5-4-6-8-14)19(26-17)23-22-12(2)13-9-10-15(20)16(21)11-13/h4-11,17H,3H2,1-2H3/b22-12+,23-19+
InChIKeyBSCOAHREYLAFNE-YXLIPSETSA-N
XLogP5.63
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.63
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]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one (CID 122194402) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one is CCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is BSCOAHREYLAFNE-YXLIPSETSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-3-17-18(25)24(14-7-5-4-6-8-14)19(26-17)23-22-12(2)13-9-10-15(20)16(21)11-13/h4-11,17H,3H2,1-2H3/b22-12+,23-19+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 406.34 g/mol, XLogP of 5.63, 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]-5-ethyl-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).