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

C13H13Cl2N3OS — CID 137028474

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C13H13Cl2N3OS/c1-3-11-12(19)16-13(20-11)18-17-7(2)8-4-5-9(14)10(15)6-8/h4-6,11H,3H2,1-2H3,(H,16,18,19)/b17-7+
InChIKeyQEORKIAKRBEAQX-REZTVBANSA-N
MW330.24 g/mol
LogP3.71
Rot. Bonds3

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 137028474) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
PubChem CID137028474
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C13H13Cl2N3OS/c1-3-11-12(19)16-13(20-11)18-17-7(2)8-4-5-9(14)10(15)6-8/h4-6,11H,3H2,1-2H3,(H,16,18,19)/b17-7+
InChIKeyQEORKIAKRBEAQX-REZTVBANSA-N
XLogP3.71
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.71
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)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one
CID 122194395
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one
CID 122194396
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one
CID 122194397
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 122194398
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 122194399
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137028472
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137028473
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137028475
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137028476
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611
1,2,4-Triazin-5(4H)-one, 3-[[(3,4-dichlorophenyl)methyl]thio]-6-methyl-
CID 135429739
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-chlorophenyl)ethylidene]hydrazone}
CID 135473243

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (CID 137028474) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)NC1=O.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is QEORKIAKRBEAQX-REZTVBANSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-3-11-12(19)16-13(20-11)18-17-7(2)8-4-5-9(14)10(15)6-8/h4-6,11H,3H2,1-2H3,(H,16,18,19)/b17-7+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 330.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 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-1,3-thiazolidin-4-one is sourced from PubChem (CID 137028474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).