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

C20H13FN2OS — CID 135523119

IUPAC5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc3ccccc23)SC1=Cc1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-10-8-13(9-11-15)12-18-19(24)23-20(25-18)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,23,24)
InChIKeyLURDOAHNTNAJAA-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.87
Rot. Bonds2

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

5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 135523119) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID135523119
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc3ccccc23)SC1=Cc1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-10-8-13(9-11-15)12-18-19(24)23-20(25-18)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,23,24)
InChIKeyLURDOAHNTNAJAA-UHFFFAOYSA-N
XLogP4.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135563218
(5E)-5-[(4-fluorophenyl)methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063297
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
2-naphthalen-1-ylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523457
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165816
(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062950
(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490206

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 135523119) is 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc3ccccc23)SC1=Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is LURDOAHNTNAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-15-10-8-13(9-11-15)12-18-19(24)23-20(25-18)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,23,24).
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 348.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).