3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one

C15H14FN3O2S — CID 4515495

IUPAC3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one
SMILESCC/N=c1\sc(C2=c3cc(F)ccc3=NC2=O)c(O)n1CC
InChIInChI=1S/C15H14FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)11-9-7-8(16)5-6-10(9)18-13(11)20/h5-7,21H,3-4H2,1-2H3/b17-15-
InChIKeyRTRIBMIRJMGNPH-ICFOKQHNSA-N
MW319.36 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one

3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one (PubChem CID 4515495) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one
PubChem CID4515495
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one
SMILESCC/N=c1\sc(C2=c3cc(F)ccc3=NC2=O)c(O)n1CC
InChIInChI=1S/C15H14FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)11-9-7-8(16)5-6-10(9)18-13(11)20/h5-7,21H,3-4H2,1-2H3/b17-15-
InChIKeyRTRIBMIRJMGNPH-ICFOKQHNSA-N
XLogP0.69
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The IUPAC name of 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one (CID 4515495) is 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one.
What is the SMILES notation for 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The canonical SMILES for 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one is CC/N=c1\sc(C2=c3cc(F)ccc3=NC2=O)c(O)n1CC.
What is the InChIKey of 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The InChIKey is RTRIBMIRJMGNPH-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-3-17-15-19(4-2)14(21)12(22-15)11-9-7-8(16)5-6-10(9)18-13(11)20/h5-7,21H,3-4H2,1-2H3/b17-15-.
What are the key properties of 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one has a molecular weight of 319.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-ethylimino-4-hydroxy-1,3-thiazol-5-yl)-5-fluoroindol-2-one is sourced from PubChem (CID 4515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).