(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C11H9Cl2N3OS — CID 135528450

IUPAC(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2c(Cl)cccc2Cl)NC1=O
InChIInChI=1S/C11H9Cl2N3OS/c1-6-10(17)15-11(18-6)16-14-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3,(H,15,16,17)/b14-5+
InChIKeyCQQRMHQLMOLZBW-LHHJGKSTSA-N
MW302.19 g/mol
LogP2.93
Rot. Bonds2

About (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135528450) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135528450
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2c(Cl)cccc2Cl)NC1=O
InChIInChI=1S/C11H9Cl2N3OS/c1-6-10(17)15-11(18-6)16-14-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3,(H,15,16,17)/b14-5+
InChIKeyCQQRMHQLMOLZBW-LHHJGKSTSA-N
XLogP2.93
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.93
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

3-((2,4-dichlorobenzyl)thio)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135444804
Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073
2-[2-(2,4-Dichlorobenzylidene)hydrazono]-1,3-thiazinan-4-one
CID 135544962
3-[(2-chloro-6-fluorobenzyl)thio]-1,2,4-triazin-5(4H)-one
CID 135509325
2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
CID 172936321
2-[(2-Chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135465257
(2E)-2-[(E)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135504725
(2Z)-2-[(2E)-(2-chloro-6-fluorobenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135647235
(2Z)-2-[(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135706611
2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929834

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135528450) is (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\N=C\c2c(Cl)cccc2Cl)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is CQQRMHQLMOLZBW-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6-10(17)15-11(18-6)16-14-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3,(H,15,16,17)/b14-5+.
What are the key properties of (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 302.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135528450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).