[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H19N3O3S2 — CID 168680216

IUPAC[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1csc(C(C)CN2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C12H19N3O3S2/c1-8(12-14-9(2)6-19-12)4-15-5-10(3-11(15)16)7-20(13,17)18/h6,8,10H,3-5,7H2,1-2H3,(H2,13,17,18)
InChIKeyLDDMYCBUQOOFRO-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.69
Rot. Bonds5

About [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680216) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680216
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1csc(C(C)CN2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C12H19N3O3S2/c1-8(12-14-9(2)6-19-12)4-15-5-10(3-11(15)16)7-20(13,17)18/h6,8,10H,3-5,7H2,1-2H3,(H2,13,17,18)
InChIKeyLDDMYCBUQOOFRO-UHFFFAOYSA-N
XLogP0.69
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one
CID 168683544
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
[1-(2-morpholin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680213
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
CID 163565018
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713179
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681781
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680216) is [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1csc(C(C)CN2CC(CS(N)(=O)=O)CC2=O)n1.
What is the InChIKey of [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LDDMYCBUQOOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8(12-14-9(2)6-19-12)4-15-5-10(3-11(15)16)7-20(13,17)18/h6,8,10H,3-5,7H2,1-2H3,(H2,13,17,18).
What are the key properties of [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).