5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one

C17H11FN4O2S — CID 135711448

IUPAC5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one
SMILESCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)s/c1=N\c1cccnc1
InChIInChI=1S/C17H11FN4O2S/c1-22-16(24)14(25-17(22)20-10-3-2-6-19-8-10)13-11-7-9(18)4-5-12(11)21-15(13)23/h2-8,24H,1H3/b20-17-
InChIKeyVXUHVGHHXMWLML-JZJYNLBNSA-N
MW354.37 g/mol
LogP0.92
Rot. Bonds2

About 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one

5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one (PubChem CID 135711448) has the molecular formula C17H11FN4O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one
PubChem CID135711448
Molecular FormulaC17H11FN4O2S
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC Name5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one
SMILESCn1c(O)c(C2=c3cc(F)ccc3=NC2=O)s/c1=N\c1cccnc1
InChIInChI=1S/C17H11FN4O2S/c1-22-16(24)14(25-17(22)20-10-3-2-6-19-8-10)13-11-7-9(18)4-5-12(11)21-15(13)23/h2-8,24H,1H3/b20-17-
InChIKeyVXUHVGHHXMWLML-JZJYNLBNSA-N
XLogP0.92
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-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 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one (CID 135711448) is 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one is Cn1c(O)c(C2=c3cc(F)ccc3=NC2=O)s/c1=N\c1cccnc1.
What is the InChIKey of 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is VXUHVGHHXMWLML-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H11FN4O2S/c1-22-16(24)14(25-17(22)20-10-3-2-6-19-8-10)13-11-7-9(18)4-5-12(11)21-15(13)23/h2-8,24H,1H3/b20-17-.
What are the key properties of 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one?
5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 354.37 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 135711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).