3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

C11H8N2O2S2 — CID 63835001

IUPAC3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nccs3)ccc2C1O
InChIInChI=1S/C11H8N2O2S2/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15)
InChIKeySCFGRSOYRCASJC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds2

About 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 63835001) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID63835001
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nccs3)ccc2C1O
InChIInChI=1S/C11H8N2O2S2/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15)
InChIKeySCFGRSOYRCASJC-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 63835001) is 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3nccs3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is SCFGRSOYRCASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15).
What are the key properties of 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 264.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63835001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).