4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

C10H14N2O2S — CID 60664993

IUPAC4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C10H14N2O2S/c1-8-7-15-10(14)12(8)6-9(13)11-4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyZASIHOFECYLVGH-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one

4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 60664993) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID60664993
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C10H14N2O2S/c1-8-7-15-10(14)12(8)6-9(13)11-4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyZASIHOFECYLVGH-UHFFFAOYSA-N
XLogP0.84
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (CID 60664993) is 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCCC1.
What is the InChIKey of 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is ZASIHOFECYLVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-7-15-10(14)12(8)6-9(13)11-4-2-3-5-11/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 60664993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).