2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide

C13H9N3O2S — CID 2174681

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H9N3O2S/c17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H,14,16,18)
InChIKeyQXWUXNUOPOLUHR-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.45
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide

2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2174681) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2174681
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H9N3O2S/c17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H,14,16,18)
InChIKeyQXWUXNUOPOLUHR-UHFFFAOYSA-N
XLogP2.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide (CID 2174681) is 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QXWUXNUOPOLUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H,14,16,18).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 271.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2174681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).