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

C8H10N2OS — CID 69351096

IUPAC1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCN1CCC(c2cncs2)C1=O
InChIInChI=1S/C8H10N2OS/c1-10-3-2-6(8(10)11)7-4-9-5-12-7/h4-6H,2-3H2,1H3
InChIKeyAQUMIQWRLFSTTI-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds1

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

1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one (PubChem CID 69351096) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one
PubChem CID69351096
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCN1CCC(c2cncs2)C1=O
InChIInChI=1S/C8H10N2OS/c1-10-3-2-6(8(10)11)7-4-9-5-12-7/h4-6H,2-3H2,1H3
InChIKeyAQUMIQWRLFSTTI-UHFFFAOYSA-N
XLogP1.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one (CID 69351096) is 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one is CN1CCC(c2cncs2)C1=O.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one?
The InChIKey is AQUMIQWRLFSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-10-3-2-6(8(10)11)7-4-9-5-12-7/h4-6H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one?
1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 69351096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).