3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one

C11H6FN3O2S2 — CID 1328894

IUPAC3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one
SMILESNn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S
InChIInChI=1S/C11H6FN3O2S2/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15(13)11(18)19-8/h1-3,17H,13H2
InChIKeySRSMVJVHVWCCFF-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.20
Rot. Bonds1

About 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one

3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one (PubChem CID 1328894) has the molecular formula C11H6FN3O2S2 and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one
PubChem CID1328894
Molecular FormulaC11H6FN3O2S2
Molecular Weight295.32 g/mol
Exact Mass294.99
IUPAC Name3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one
SMILESNn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S
InChIInChI=1S/C11H6FN3O2S2/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15(13)11(18)19-8/h1-3,17H,13H2
InChIKeySRSMVJVHVWCCFF-UHFFFAOYSA-N
XLogP0.20
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Oxo-indolin-3-ylidene)-thiazolidine-2,4-dione
CID 1641795
5-Fluoro-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
CID 1240986
(5E)-5-(2-hydroxy-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1269517
(3Z)-3-(3-amino-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-bromo-1,3-dihydro-2H-indol-2-one
CID 1337387
ClpB-IN-1
CID 1370080
N-[5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
CID 1240191
5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3H-1,3-thiazol-2-one
CID 135906479
(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-(3-Ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-7-fluoroindol-2-one
CID 137109018
3-(3-Ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one
CID 137109020
7-Fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
CID 137109023
5-Fluoro-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
CID 137109025

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The IUPAC name of 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one (CID 1328894) is 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one.
What is the SMILES notation for 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The canonical SMILES for 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one is Nn1c(O)c(C2=c3cc(F)ccc3=NC2=O)sc1=S.
What is the InChIKey of 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
The InChIKey is SRSMVJVHVWCCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S2/c12-4-1-2-6-5(3-4)7(9(16)14-6)8-10(17)15(13)11(18)19-8/h1-3,17H,13H2.
What are the key properties of 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one?
3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one has a molecular weight of 295.32 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-fluoroindol-2-one is sourced from PubChem (CID 1328894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).