2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H7F2N3OS — CID 168576171

IUPAC2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(F)c2F)N1
InChIInChI=1S/C10H7F2N3OS/c11-7-3-1-2-6(9(7)12)4-13-15-10-14-8(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyPPIYSWWPMCISGI-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.52
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576171) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576171
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(F)c2F)N1
InChIInChI=1S/C10H7F2N3OS/c11-7-3-1-2-6(9(7)12)4-13-15-10-14-8(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyPPIYSWWPMCISGI-UHFFFAOYSA-N
XLogP1.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.52
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-[[2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574836
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
[2,3-difluoro-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574463
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576327
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574748
2-[[4-[(2,6-difluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574188

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576171) is 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cccc(F)c2F)N1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PPIYSWWPMCISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-7-3-1-2-6(9(7)12)4-13-15-10-14-8(16)5-17-10/h1-4H,5H2,(H,14,15,16).
What are the key properties of 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 255.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).