(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H9F2N3O2S — CID 135558880

IUPAC(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2ccccc2OC(F)F)N1
InChIInChI=1S/C11H9F2N3O2S/c12-10(13)18-8-4-2-1-3-7(8)5-14-16-11-15-9(17)6-19-11/h1-5,10H,6H2,(H,15,16,17)/b14-5-
InChIKeyYJTPQXMEUGSIIP-RZNTYIFUSA-N
MW285.27 g/mol
LogP1.84
Rot. Bonds4

About (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135558880) has the molecular formula C11H9F2N3O2S and a molecular weight of 285.27 g/mol. Its IUPAC name is (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135558880
Molecular FormulaC11H9F2N3O2S
Molecular Weight285.27 g/mol
Exact Mass285.04
IUPAC Name(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2ccccc2OC(F)F)N1
InChIInChI=1S/C11H9F2N3O2S/c12-10(13)18-8-4-2-1-3-7(8)5-14-16-11-15-9(17)6-19-11/h1-5,10H,6H2,(H,15,16,17)/b14-5-
InChIKeyYJTPQXMEUGSIIP-RZNTYIFUSA-N
XLogP1.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.84
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
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574571
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-(4-tert-butylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575355
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
2-[[2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574836
2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 172942203
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573992
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135558880) is (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C/c2ccccc2OC(F)F)N1.
What is the InChIKey of (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YJTPQXMEUGSIIP-RZNTYIFUSA-N. The full InChI is InChI=1S/C11H9F2N3O2S/c12-10(13)18-8-4-2-1-3-7(8)5-14-16-11-15-9(17)6-19-11/h1-5,10H,6H2,(H,15,16,17)/b14-5-.
What are the key properties of (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 285.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135558880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).