5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

C21H15FN2O2S — CID 141166631

IUPAC5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cc3ccccc3cc2OCc2ccccc2F)S1
InChIInChI=1S/C21H15FN2O2S/c22-17-8-4-3-7-15(17)12-26-18-10-14-6-2-1-5-13(14)9-16(18)11-19-20(25)24-21(23)27-19/h1-11H,12H2,(H2,23,24,25)
InChIKeyHYDBXGSPGHNHTK-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.70
Rot. Bonds4

About 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one

5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 141166631) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID141166631
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cc3ccccc3cc2OCc2ccccc2F)S1
InChIInChI=1S/C21H15FN2O2S/c22-17-8-4-3-7-15(17)12-26-18-10-14-6-2-1-5-13(14)9-16(18)11-19-20(25)24-21(23)27-19/h1-11H,12H2,(H2,23,24,25)
InChIKeyHYDBXGSPGHNHTK-UHFFFAOYSA-N
XLogP4.70
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_D(8)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-imino-5-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 138388085
(5Z)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792400
2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128786
(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777680
5-[(2-ethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127950
(5Z)-5-[[2-[3-(3,5-dimethylphenoxy)propoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792074
2-imino-5-[[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128907
(5Z)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792293
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804392
(5Z)-5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138388084
5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128118
5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127606

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 141166631) is 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2cc3ccccc3cc2OCc2ccccc2F)S1.
What is the InChIKey of 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is HYDBXGSPGHNHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c22-17-8-4-3-7-15(17)12-26-18-10-14-6-2-1-5-13(14)9-16(18)11-19-20(25)24-21(23)27-19/h1-11H,12H2,(H2,23,24,25).
What are the key properties of 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one?
5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 378.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 141166631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).