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

C15H18FN3O2S — CID 168574334

IUPAC2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)CCOc1cc(C=NN=C2NC(=O)CS2)ccc1F
InChIInChI=1S/C15H18FN3O2S/c1-10(2)5-6-21-13-7-11(3-4-12(13)16)8-17-19-15-18-14(20)9-22-15/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeyIXXVJMCSVBKLML-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds6

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

2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574334) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574334
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)CCOc1cc(C=NN=C2NC(=O)CS2)ccc1F
InChIInChI=1S/C15H18FN3O2S/c1-10(2)5-6-21-13-7-11(3-4-12(13)16)8-17-19-15-18-14(20)9-22-15/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeyIXXVJMCSVBKLML-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
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

2-[(3-butoxy-4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574302
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573975
2-[(4-butoxy-3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574300
2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574330
2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl acetate
CID 168576098
2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576322
2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576511
2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576564
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576079

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574334) is 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC(C)CCOc1cc(C=NN=C2NC(=O)CS2)ccc1F.
What is the InChIKey of 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IXXVJMCSVBKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-10(2)5-6-21-13-7-11(3-4-12(13)16)8-17-19-15-18-14(20)9-22-15/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 323.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).