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

C18H22FN3O2S — CID 168574162

IUPAC2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(COCC3CCCCC3)c(F)c2)N1
InChIInChI=1S/C18H22FN3O2S/c19-16-8-14(9-20-22-18-21-17(23)12-25-18)6-7-15(16)11-24-10-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,21,22,23)
InChIKeyCKCNJULBOPIKTH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.48
Rot. Bonds6

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

2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574162) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574162
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(COCC3CCCCC3)c(F)c2)N1
InChIInChI=1S/C18H22FN3O2S/c19-16-8-14(9-20-22-18-21-17(23)12-25-18)6-7-15(16)11-24-10-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,21,22,23)
InChIKeyCKCNJULBOPIKTH-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.48
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-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574177
2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574250
2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574151
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
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
2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574240
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573938
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574162) is 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(COCC3CCCCC3)c(F)c2)N1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CKCNJULBOPIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-16-8-14(9-20-22-18-21-17(23)12-25-18)6-7-15(16)11-24-10-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,21,22,23).
What are the key properties of 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).