3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

C17H9FN2O2S2 — CID 1390421

IUPAC3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C17H9FN2O2S2/c18-9-5-7-10(8-6-9)20-16(22)14(24-17(20)23)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,22H
InChIKeyLJOVZKKUCMNJEQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.47
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1390421) has the molecular formula C17H9FN2O2S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1390421
Molecular FormulaC17H9FN2O2S2
Molecular Weight356.40 g/mol
Exact Mass356.01
IUPAC Name3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C17H9FN2O2S2/c18-9-5-7-10(8-6-9)20-16(22)14(24-17(20)23)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,22H
InChIKeyLJOVZKKUCMNJEQ-UHFFFAOYSA-N
XLogP2.47
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1390421) is 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is LJOVZKKUCMNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O2S2/c18-9-5-7-10(8-6-9)20-16(22)14(24-17(20)23)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,22H.
What are the key properties of 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1390421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).