1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one

C9H12N2OS — CID 59059051

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCCc1cnc(N2CCCC2=O)s1
InChIInChI=1S/C9H12N2OS/c1-2-7-6-10-9(13-7)11-5-3-4-8(11)12/h6H,2-5H2,1H3
InChIKeyWGAZLRPQJHKPJZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.83
Rot. Bonds2

About 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one

1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 59059051) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID59059051
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCCc1cnc(N2CCCC2=O)s1
InChIInChI=1S/C9H12N2OS/c1-2-7-6-10-9(13-7)11-5-3-4-8(11)12/h6H,2-5H2,1H3
InChIKeyWGAZLRPQJHKPJZ-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 59059051) is 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one is CCc1cnc(N2CCCC2=O)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is WGAZLRPQJHKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-7-6-10-9(13-7)11-5-3-4-8(11)12/h6H,2-5H2,1H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 59059051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).