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

C12H8N2O3S2 — CID 1238707

IUPAC3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C12H8N2O3S2/c1-17-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(18)19-9/h2-4,16H,1H3,(H,14,18)
InChIKeyQZNCZPBZVUNHDY-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.88
Rot. Bonds2

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

3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one (PubChem CID 1238707) has the molecular formula C12H8N2O3S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one
PubChem CID1238707
Molecular FormulaC12H8N2O3S2
Molecular Weight292.34 g/mol
Exact Mass292.00
IUPAC Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one
SMILESCOc1ccc2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C12H8N2O3S2/c1-17-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(18)19-9/h2-4,16H,1H3,(H,14,18)
InChIKeyQZNCZPBZVUNHDY-UHFFFAOYSA-N
XLogP0.88
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
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-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one?
The IUPAC name of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one (CID 1238707) is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one is COc1ccc2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2.
What is the InChIKey of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one?
The InChIKey is QZNCZPBZVUNHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S2/c1-17-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(18)19-9/h2-4,16H,1H3,(H,14,18).
What are the key properties of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one?
3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5-methoxyindol-2-one is sourced from PubChem (CID 1238707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).