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

C9H11N3O2S — CID 47111186

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1nccs1
InChIInChI=1S/C9H11N3O2S/c13-7(11-9-10-3-5-15-9)6-12-4-1-2-8(12)14/h3,5H,1-2,4,6H2,(H,10,11,13)
InChIKeyJHZYBLIEJWESOZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.70
Rot. Bonds3

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

2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 47111186) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID47111186
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1nccs1
InChIInChI=1S/C9H11N3O2S/c13-7(11-9-10-3-5-15-9)6-12-4-1-2-8(12)14/h3,5H,1-2,4,6H2,(H,10,11,13)
InChIKeyJHZYBLIEJWESOZ-UHFFFAOYSA-N
XLogP0.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 47111186) is 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCCC1=O)Nc1nccs1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JHZYBLIEJWESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-7(11-9-10-3-5-15-9)6-12-4-1-2-8(12)14/h3,5H,1-2,4,6H2,(H,10,11,13).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 225.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47111186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).