2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H8F5N3O2S — CID 168575339

IUPAC2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(OCC(F)(F)F)c(F)c2)N1
InChIInChI=1S/C12H8F5N3O2S/c13-7-1-6(3-18-20-11-19-9(21)4-23-11)2-8(14)10(7)22-5-12(15,16)17/h1-3H,4-5H2,(H,19,20,21)
InChIKeyXLGGZILDBQSCDB-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.46
Rot. Bonds4

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

2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575339) has the molecular formula C12H8F5N3O2S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575339
Molecular FormulaC12H8F5N3O2S
Molecular Weight353.27 g/mol
Exact Mass353.03
IUPAC Name2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(OCC(F)(F)F)c(F)c2)N1
InChIInChI=1S/C12H8F5N3O2S/c13-7-1-6(3-18-20-11-19-9(21)4-23-11)2-8(14)10(7)22-5-12(15,16)17/h1-3H,4-5H2,(H,19,20,21)
InChIKeyXLGGZILDBQSCDB-UHFFFAOYSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574330
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
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
2-[(3-butoxy-4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574302
2-[2,6-dimethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetic acid
CID 168576111
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428
2-[[4-[(2,6-difluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574188
2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574334
2-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574177

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575339) is 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)c(OCC(F)(F)F)c(F)c2)N1.
What is the InChIKey of 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XLGGZILDBQSCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5N3O2S/c13-7-1-6(3-18-20-11-19-9(21)4-23-11)2-8(14)10(7)22-5-12(15,16)17/h1-3H,4-5H2,(H,19,20,21).
What are the key properties of 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 353.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).