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

C13H9FN2O3S — CID 4515594

IUPAC3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C13H9FN2O3S/c1-2-16-12(18)10(20-13(16)19)9-7-5-6(14)3-4-8(7)15-11(9)17/h3-5,18H,2H2,1H3
InChIKeyNJGRPKFXVVTMPS-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.13
Rot. Bonds2

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

3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 4515594) has the molecular formula C13H9FN2O3S and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID4515594
Molecular FormulaC13H9FN2O3S
Molecular Weight292.29 g/mol
Exact Mass292.03
IUPAC Name3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O
InChIInChI=1S/C13H9FN2O3S/c1-2-16-12(18)10(20-13(16)19)9-7-5-6(14)3-4-8(7)15-11(9)17/h3-5,18H,2H2,1H3
InChIKeyNJGRPKFXVVTMPS-UHFFFAOYSA-N
XLogP0.13
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one (CID 4515594) is 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is CCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=O.
What is the InChIKey of 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is NJGRPKFXVVTMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3S/c1-2-16-12(18)10(20-13(16)19)9-7-5-6(14)3-4-8(7)15-11(9)17/h3-5,18H,2H2,1H3.
What are the key properties of 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one?
3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 292.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 4515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).