5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one

C17H9FN2O4S — CID 135711385

IUPAC5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H9FN2O4S/c18-8-1-6-12-11(7-8)13(15(22)19-12)14-16(23)20(17(24)25-14)9-2-4-10(21)5-3-9/h1-7,21,23H
InChIKeyMOAULOBRTZDXGH-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.81
Rot. Bonds2

About 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one

5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one (PubChem CID 135711385) has the molecular formula C17H9FN2O4S and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one
PubChem CID135711385
Molecular FormulaC17H9FN2O4S
Molecular Weight356.33 g/mol
Exact Mass356.03
IUPAC Name5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H9FN2O4S/c18-8-1-6-12-11(7-8)13(15(22)19-12)14-16(23)20(17(24)25-14)9-2-4-10(21)5-3-9/h1-7,21,23H
InChIKeyMOAULOBRTZDXGH-UHFFFAOYSA-N
XLogP0.81
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one?
The IUPAC name of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one (CID 135711385) is 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one is O=C1N=c2ccc(F)cc2=C1c1sc(=O)n(-c2ccc(O)cc2)c1O.
What is the InChIKey of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one?
The InChIKey is MOAULOBRTZDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O4S/c18-8-1-6-12-11(7-8)13(15(22)19-12)14-16(23)20(17(24)25-14)9-2-4-10(21)5-3-9/h1-7,21,23H.
What are the key properties of 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one?
5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one has a molecular weight of 356.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135711385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).