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

C11H6Cl2F3N3OS — CID 168575314

IUPAC2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1
InChIInChI=1S/C11H6Cl2F3N3OS/c12-7-2-5(1-6(9(7)13)11(14,15)16)3-17-19-10-18-8(20)4-21-10/h1-3H,4H2,(H,18,19,20)
InChIKeyLXMQADVPNSKSNH-UHFFFAOYSA-N
MW356.16 g/mol
LogP3.57
Rot. Bonds2

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

2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575314) has the molecular formula C11H6Cl2F3N3OS and a molecular weight of 356.16 g/mol. Its IUPAC name is 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575314
Molecular FormulaC11H6Cl2F3N3OS
Molecular Weight356.16 g/mol
Exact Mass354.96
IUPAC Name2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1
InChIInChI=1S/C11H6Cl2F3N3OS/c12-7-2-5(1-6(9(7)13)11(14,15)16)3-17-19-10-18-8(20)4-21-10/h1-3H,4H2,(H,18,19,20)
InChIKeyLXMQADVPNSKSNH-UHFFFAOYSA-N
XLogP3.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 53.57
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)-(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
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
2-[(2E)-2-[(2,4-dichlorophenyl)methylene]hydrazino]thiazol-4-one
CID 135886855
(2Z)-2-[(Z)-(2-chloro-6-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136211332
2-[(3-Chloro-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573757

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575314) is 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1.
What is the InChIKey of 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LXMQADVPNSKSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3OS/c12-7-2-5(1-6(9(7)13)11(14,15)16)3-17-19-10-18-8(20)4-21-10/h1-3H,4H2,(H,18,19,20).
What are the key properties of 2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3,4-dichloro-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 356.16 g/mol, XLogP of 3.57, 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-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).