(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one

C14H13Cl2N3OS — CID 176988495

IUPAC(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one
SMILESC=C(Cl)CC1S/C(=N\N=C(/C)c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C14H13Cl2N3OS/c1-8(15)7-12-13(20)17-14(21-12)19-18-9(2)10-3-5-11(16)6-4-10/h3-6,12H,1,7H2,2H3,(H,17,19,20)/b18-9+
InChIKeyJXMSBPKNOWOSRH-GIJQJNRQSA-N
MW342.25 g/mol
LogP3.79
Rot. Bonds4

About (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one

(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one (PubChem CID 176988495) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one
PubChem CID176988495
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one
SMILESC=C(Cl)CC1S/C(=N\N=C(/C)c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C14H13Cl2N3OS/c1-8(15)7-12-13(20)17-14(21-12)19-18-9(2)10-3-5-11(16)6-4-10/h3-6,12H,1,7H2,2H3,(H,17,19,20)/b18-9+
InChIKeyJXMSBPKNOWOSRH-GIJQJNRQSA-N
XLogP3.79
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one (CID 176988495) is (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one is C=C(Cl)CC1S/C(=N\N=C(/C)c2ccc(Cl)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one?
The InChIKey is JXMSBPKNOWOSRH-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c1-8(15)7-12-13(20)17-14(21-12)19-18-9(2)10-3-5-11(16)6-4-10/h3-6,12H,1,7H2,2H3,(H,17,19,20)/b18-9+.
What are the key properties of (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one has a molecular weight of 342.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-(2-chloroprop-2-enyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 176988495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).