5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

C17H9FN2O2S2 — CID 1306124

IUPAC5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C17H9FN2O2S2/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H
InChIKeyAVCGPJAAXOXDRR-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.47
Rot. Bonds2

About 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1306124) has the molecular formula C17H9FN2O2S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
PubChem CID1306124
Molecular FormulaC17H9FN2O2S2
Molecular Weight356.40 g/mol
Exact Mass356.01
IUPAC Name5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C17H9FN2O2S2/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H
InChIKeyAVCGPJAAXOXDRR-UHFFFAOYSA-N
XLogP2.47
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (CID 1306124) is 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is O=C1N=c2ccc(F)cc2=C1c1sc(=S)n(-c2ccccc2)c1O.
What is the InChIKey of 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is AVCGPJAAXOXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O2S2/c18-9-6-7-12-11(8-9)13(15(21)19-12)14-16(22)20(17(23)24-14)10-4-2-1-3-5-10/h1-8,22H.
What are the key properties of 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1306124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).