3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one

C11H6N2O2S2 — CID 1269517

IUPAC3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)[nH]c1O
InChIInChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4,15H,(H,13,16)
InChIKeyIFSCRBLNZGLETO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.87
Rot. Bonds1

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

3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1269517) has the molecular formula C11H6N2O2S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
PubChem CID1269517
Molecular FormulaC11H6N2O2S2
Molecular Weight262.31 g/mol
Exact Mass261.99
IUPAC Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)[nH]c1O
InChIInChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4,15H,(H,13,16)
InChIKeyIFSCRBLNZGLETO-UHFFFAOYSA-N
XLogP0.87
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one (CID 1269517) is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one is O=C1N=c2ccccc2=C1c1sc(=S)[nH]c1O.
What is the InChIKey of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is IFSCRBLNZGLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2S2/c14-9-7(8-10(15)13-11(16)17-8)5-3-1-2-4-6(5)12-9/h1-4,15H,(H,13,16).
What are the key properties of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1269517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).