2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H6Cl2FN3OS — CID 168576590

IUPAC2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H6Cl2FN3OS/c11-6-1-5(2-7(13)9(6)12)3-14-16-10-15-8(17)4-18-10/h1-3H,4H2,(H,15,16,17)
InChIKeyFRCYAJYWTBXEEF-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.69
Rot. Bonds2

About 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576590) has the molecular formula C10H6Cl2FN3OS and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576590
Molecular FormulaC10H6Cl2FN3OS
Molecular Weight306.15 g/mol
Exact Mass304.96
IUPAC Name2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H6Cl2FN3OS/c11-6-1-5(2-7(13)9(6)12)3-14-16-10-15-8(17)4-18-10/h1-3H,4H2,(H,15,16,17)
InChIKeyFRCYAJYWTBXEEF-UHFFFAOYSA-N
XLogP2.69
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073
3-((3,4-dichlorobenzyl)thio)-1,2,4-triazin-5(4H)-one
CID 135764101
(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
Benzaldehyde (5-(3,4-dichlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135645362
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
Thiazolidin-4-one, 2-(4-chlorobenzylidenhydrazono)-
CID 135403956

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576590) is 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)c(Cl)c(Cl)c2)N1.
What is the InChIKey of 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FRCYAJYWTBXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3OS/c11-6-1-5(2-7(13)9(6)12)3-14-16-10-15-8(17)4-18-10/h1-3H,4H2,(H,15,16,17).
What are the key properties of 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 306.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichloro-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).