2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C13H19N3O3S — CID 18157108

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20-13(19)16(10)8-11(17)14-5-4-12(18)15-6-2-3-7-15/h9H,2-8H2,1H3,(H,14,17)
InChIKeyIBKBTIGRHQHCPX-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.35
Rot. Bonds5

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 18157108) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID18157108
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C13H19N3O3S/c1-10-9-20-13(19)16(10)8-11(17)14-5-4-12(18)15-6-2-3-7-15/h9H,2-8H2,1H3,(H,14,17)
InChIKeyIBKBTIGRHQHCPX-UHFFFAOYSA-N
XLogP0.35
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 18157108) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is Cc1csc(=O)n1CC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is IBKBTIGRHQHCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-9-20-13(19)16(10)8-11(17)14-5-4-12(18)15-6-2-3-7-15/h9H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 18157108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).