2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H6BrF4N3OS — CID 168575066

IUPAC2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(F)ccc(C(F)(F)F)c2Br)N1
InChIInChI=1S/C11H6BrF4N3OS/c12-9-5(3-17-19-10-18-8(20)4-21-10)7(13)2-1-6(9)11(14,15)16/h1-3H,4H2,(H,18,19,20)
InChIKeyKUMYQKABYUPOFH-UHFFFAOYSA-N
MW384.15 g/mol
LogP3.16
Rot. Bonds2

About 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575066) has the molecular formula C11H6BrF4N3OS and a molecular weight of 384.15 g/mol. Its IUPAC name is 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575066
Molecular FormulaC11H6BrF4N3OS
Molecular Weight384.15 g/mol
Exact Mass382.94
IUPAC Name2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(F)ccc(C(F)(F)F)c2Br)N1
InChIInChI=1S/C11H6BrF4N3OS/c12-9-5(3-17-19-10-18-8(20)4-21-10)7(13)2-1-6(9)11(14,15)16/h1-3H,4H2,(H,18,19,20)
InChIKeyKUMYQKABYUPOFH-UHFFFAOYSA-N
XLogP3.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.15
LogP ≤ 53.16
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

2-[[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574578
2-[[3-bromo-2-methoxy-6-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574577
2-[[4-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575426
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
2-[[2-bromo-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575869
2-[[6-bromo-2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574384
2-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458
2-[(3-bromo-4-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574626
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575058
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575084

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575066) is 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2c(F)ccc(C(F)(F)F)c2Br)N1.
What is the InChIKey of 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KUMYQKABYUPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF4N3OS/c12-9-5(3-17-19-10-18-8(20)4-21-10)7(13)2-1-6(9)11(14,15)16/h1-3H,4H2,(H,18,19,20).
What are the key properties of 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 384.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).