2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H9N3O3S — CID 2787059

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C13H9N3O3S/c17-10(15-13-14-5-6-20-13)7-16-11(18)8-3-1-2-4-9(8)12(16)19/h1-6H,7H2,(H,14,15,17)
InChIKeyKKKDVCPAXUUMBE-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.38
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2787059) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2787059
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1nccs1
InChIInChI=1S/C13H9N3O3S/c17-10(15-13-14-5-6-20-13)7-16-11(18)8-3-1-2-4-9(8)12(16)19/h1-6H,7H2,(H,14,15,17)
InChIKeyKKKDVCPAXUUMBE-UHFFFAOYSA-N
XLogP1.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2787059) is 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1nccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KKKDVCPAXUUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c17-10(15-13-14-5-6-20-13)7-16-11(18)8-3-1-2-4-9(8)12(16)19/h1-6H,7H2,(H,14,15,17).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 287.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2787059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).