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

C12H7FN2O2S2 — CID 137109023

IUPAC7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESCn1c(O)c(C2=c3cccc(F)c3=NC2=O)sc1=S
InChIInChI=1S/C12H7FN2O2S2/c1-15-11(17)9(19-12(15)18)7-5-3-2-4-6(13)8(5)14-10(7)16/h2-4,17H,1H3
InChIKeyTUKOSGWLNJYBLD-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.02
Rot. Bonds1

About 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (PubChem CID 137109023) has the molecular formula C12H7FN2O2S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
PubChem CID137109023
Molecular FormulaC12H7FN2O2S2
Molecular Weight294.33 g/mol
Exact Mass293.99
IUPAC Name7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESCn1c(O)c(C2=c3cccc(F)c3=NC2=O)sc1=S
InChIInChI=1S/C12H7FN2O2S2/c1-15-11(17)9(19-12(15)18)7-5-3-2-4-6(13)8(5)14-10(7)16/h2-4,17H,1H3
InChIKeyTUKOSGWLNJYBLD-UHFFFAOYSA-N
XLogP1.02
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
CID 1240986
ClpB-IN-1
CID 1370080
(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1909354
(3Z)-3-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1524007
(3Z)-3-(3-amino-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
CID 1328894
[(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1302409
3-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 3463127
(3Z)-5-fluoro-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1299188
3-[5-(7-Fluoro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 136374389
3-[5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 136374391
2-[5-(7-Fluoro-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 136374395
3-(3-Ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-7-fluoroindol-2-one
CID 137109018

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (CID 137109023) is 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is Cn1c(O)c(C2=c3cccc(F)c3=NC2=O)sc1=S.
What is the InChIKey of 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is TUKOSGWLNJYBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S2/c1-15-11(17)9(19-12(15)18)7-5-3-2-4-6(13)8(5)14-10(7)16/h2-4,17H,1H3.
What are the key properties of 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 294.33 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 137109023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).