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

C21H15FN2O2S — CID 135706945

IUPAC5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\c2cccc3ccccc23)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O2S/c22-15-10-8-14(9-11-15)18(25)12-19-20(26)24-21(27-19)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H,23,24,26)
InChIKeyRDQOIWBHQMKWDM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.47
Rot. Bonds4

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

5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 135706945) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID135706945
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N\c2cccc3ccccc23)NC1=O)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O2S/c22-15-10-8-14(9-11-15)18(25)12-19-20(26)24-21(27-19)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H,23,24,26)
InChIKeyRDQOIWBHQMKWDM-UHFFFAOYSA-N
XLogP4.47
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
2-[2-(4-fluorophenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 134915498
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
2-(fluoren-9-ylidenehydrazinylidene)-5-phenacyl-1,3-thiazolidin-4-one
CID 135483358
5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(fluoren-9-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135521991
4-[[5-[2-(4-methylphenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135706948
(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135711877
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135692156
2-[(5S)-2-(1-naphthalen-1-ylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 137195614
N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691558
(5S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135956748

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 135706945) is 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\c2cccc3ccccc23)NC1=O)c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is RDQOIWBHQMKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c22-15-10-8-14(9-11-15)18(25)12-19-20(26)24-21(27-19)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H,23,24,26).
What are the key properties of 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 378.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-2-oxoethyl]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135706945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).