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

C12H12FN3OS — CID 168574383

IUPAC2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C=NN=C2NC(=O)CS2)c(F)c1
InChIInChI=1S/C12H12FN3OS/c1-2-8-3-4-9(10(13)5-8)6-14-16-12-15-11(17)7-18-12/h3-6H,2,7H2,1H3,(H,15,16,17)
InChIKeySVXKGJFLRGKSNL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds3

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

2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574383) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574383
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C=NN=C2NC(=O)CS2)c(F)c1
InChIInChI=1S/C12H12FN3OS/c1-2-8-3-4-9(10(13)5-8)6-14-16-12-15-11(17)7-18-12/h3-6H,2,7H2,1H3,(H,15,16,17)
InChIKeySVXKGJFLRGKSNL-UHFFFAOYSA-N
XLogP1.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
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

(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574079
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135463828
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171
[2,3-difluoro-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574463
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
2-[[4-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575426
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574383) is 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCc1ccc(C=NN=C2NC(=O)CS2)c(F)c1.
What is the InChIKey of 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SVXKGJFLRGKSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-2-8-3-4-9(10(13)5-8)6-14-16-12-15-11(17)7-18-12/h3-6H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 265.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).