5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

C11H16N2OS — CID 104687460

IUPAC5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1(Cc2scnc2C)CCC(=O)N1
InChIInChI=1S/C11H16N2OS/c1-3-11(5-4-10(14)13-11)6-9-8(2)12-7-15-9/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDJEWCURURUFPAS-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.05
Rot. Bonds3

About 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 104687460) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID104687460
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCCC1(Cc2scnc2C)CCC(=O)N1
InChIInChI=1S/C11H16N2OS/c1-3-11(5-4-10(14)13-11)6-9-8(2)12-7-15-9/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyDJEWCURURUFPAS-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (CID 104687460) is 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is CCC1(Cc2scnc2C)CCC(=O)N1.
What is the InChIKey of 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is DJEWCURURUFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-11(5-4-10(14)13-11)6-9-8(2)12-7-15-9/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 224.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).