2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C12H11F2N3O2S — CID 172942203

IUPAC2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(=N/N=C/c2ccccc2OC(F)F)NC1=O
InChIInChI=1S/C12H11F2N3O2S/c1-7-10(18)16-12(20-7)17-15-6-8-4-2-3-5-9(8)19-11(13)14/h2-7,11H,1H3,(H,16,17,18)/b15-6+
InChIKeyNPRSHQFYEDSAGQ-GIDUJCDVSA-N
MW299.30 g/mol
LogP2.23
Rot. Bonds4

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

2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 172942203) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID172942203
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(=N/N=C/c2ccccc2OC(F)F)NC1=O
InChIInChI=1S/C12H11F2N3O2S/c1-7-10(18)16-12(20-7)17-15-6-8-4-2-3-5-9(8)19-11(13)14/h2-7,11H,1H3,(H,16,17,18)/b15-6+
InChIKeyNPRSHQFYEDSAGQ-GIDUJCDVSA-N
XLogP2.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.23
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

(5R)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136747843
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
(2E)-2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059
(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 136773708
(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
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800830
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135906029

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 172942203) is 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1SC(=N/N=C/c2ccccc2OC(F)F)NC1=O.
What is the InChIKey of 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is NPRSHQFYEDSAGQ-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-7-10(18)16-12(20-7)17-15-6-8-4-2-3-5-9(8)19-11(13)14/h2-7,11H,1H3,(H,16,17,18)/b15-6+.
What are the key properties of 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 299.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 172942203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).