5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione

C12H9FN2O4S — CID 102363250

IUPAC5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(C2(O)C(=O)Nc3ccc(F)cc32)C1=O
InChIInChI=1S/C12H9FN2O4S/c1-15-9(16)8(20-11(15)18)12(19)6-4-5(13)2-3-7(6)14-10(12)17/h2-4,8,19H,1H3,(H,14,17)
InChIKeyPITCGHAROVSHBJ-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.66
Rot. Bonds1

About 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione

5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 102363250) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID102363250
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(C2(O)C(=O)Nc3ccc(F)cc32)C1=O
InChIInChI=1S/C12H9FN2O4S/c1-15-9(16)8(20-11(15)18)12(19)6-4-5(13)2-3-7(6)14-10(12)17/h2-4,8,19H,1H3,(H,14,17)
InChIKeyPITCGHAROVSHBJ-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione (CID 102363250) is 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(C2(O)C(=O)Nc3ccc(F)cc32)C1=O.
What is the InChIKey of 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is PITCGHAROVSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c1-15-9(16)8(20-11(15)18)12(19)6-4-5(13)2-3-7(6)14-10(12)17/h2-4,8,19H,1H3,(H,14,17).
What are the key properties of 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione?
5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 296.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 102363250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).