(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H7Cl2N3OS — CID 135971161

IUPAC(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)/b13-4+
InChIKeyRIJKGOXAALFOGI-YIXHJXPBSA-N
MW288.16 g/mol
LogP2.55
Rot. Bonds2

About (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135971161) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135971161
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2c(Cl)cccc2Cl)N1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)/b13-4+
InChIKeyRIJKGOXAALFOGI-YIXHJXPBSA-N
XLogP2.55
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.55
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 (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135971161) is (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2c(Cl)cccc2Cl)N1.
What is the InChIKey of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RIJKGOXAALFOGI-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)/b13-4+.
What are the key properties of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 288.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135971161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).