5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione

C10H9FN2O2S — CID 650014

IUPAC5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C10H9FN2O2S/c1-13-9(14)8(16-10(13)15)12-7-4-2-6(11)3-5-7/h2-5,8,12H,1H3
InChIKeyRBQYQECJIWYHGM-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.89
Rot. Bonds2

About 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione

5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 650014) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID650014
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C10H9FN2O2S/c1-13-9(14)8(16-10(13)15)12-7-4-2-6(11)3-5-7/h2-5,8,12H,1H3
InChIKeyRBQYQECJIWYHGM-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3-(((3-fluorophenyl)carbamoyl)methyl)-4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 2435457
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 3227527
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 9116461
N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253429
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
N-(2-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16380000
N-(4-fluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16382378

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione (CID 650014) is 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(Nc2ccc(F)cc2)C1=O.
What is the InChIKey of 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is RBQYQECJIWYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-13-9(14)8(16-10(13)15)12-7-4-2-6(11)3-5-7/h2-5,8,12H,1H3.
What are the key properties of 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 650014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).