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

C16H12FN3OS — CID 168574428

IUPAC2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(-c3ccccc3)c(F)c2)N1
InChIInChI=1S/C16H12FN3OS/c17-14-8-11(9-18-20-16-19-15(21)10-22-16)6-7-13(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21)
InChIKeyZAXUILPENLUFFA-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.05
Rot. Bonds3

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

2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574428) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574428
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(-c3ccccc3)c(F)c2)N1
InChIInChI=1S/C16H12FN3OS/c17-14-8-11(9-18-20-16-19-15(21)10-22-16)6-7-13(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21)
InChIKeyZAXUILPENLUFFA-UHFFFAOYSA-N
XLogP3.05
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.05
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-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576544
2-[(Z)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136831641
2-[(E)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172920535
2-[(3-oxoisoindol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576387
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575616
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573993
2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576564
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574428) is 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(-c3ccccc3)c(F)c2)N1.
What is the InChIKey of 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZAXUILPENLUFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-14-8-11(9-18-20-16-19-15(21)10-22-16)6-7-13(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21).
What are the key properties of 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).