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

C11H8F3N3O2S — CID 168574571

IUPAC2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)ccc2OC(F)F)N1
InChIInChI=1S/C11H8F3N3O2S/c12-7-1-2-8(19-10(13)14)6(3-7)4-15-17-11-16-9(18)5-20-11/h1-4,10H,5H2,(H,16,17,18)
InChIKeyRZYRGSNBFANEEV-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.98
Rot. Bonds4

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

2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574571) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574571
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)ccc2OC(F)F)N1
InChIInChI=1S/C11H8F3N3O2S/c12-7-1-2-8(19-10(13)14)6(3-7)4-15-17-11-16-9(18)5-20-11/h1-4,10H,5H2,(H,16,17,18)
InChIKeyRZYRGSNBFANEEV-UHFFFAOYSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.98
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'}

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Related Compounds

(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574748
2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576135
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574079
2-[[2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574836
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575616

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574571) is 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)ccc2OC(F)F)N1.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RZYRGSNBFANEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-7-1-2-8(19-10(13)14)6(3-7)4-15-17-11-16-9(18)5-20-11/h1-4,10H,5H2,(H,16,17,18).
What are the key properties of 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 303.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).