2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide

C11H16N4O2S — CID 22387221

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2nc(C)ns2)CC1=O
InChIInChI=1S/C11H16N4O2S/c1-3-8(10(12)17)15-5-7(4-9(15)16)11-13-6(2)14-18-11/h7-8H,3-5H2,1-2H3,(H2,12,17)
InChIKeyHWRDADSBIZUYBL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 22387221) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID22387221
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2nc(C)ns2)CC1=O
InChIInChI=1S/C11H16N4O2S/c1-3-8(10(12)17)15-5-7(4-9(15)16)11-13-6(2)14-18-11/h7-8H,3-5H2,1-2H3,(H2,12,17)
InChIKeyHWRDADSBIZUYBL-UHFFFAOYSA-N
XLogP0.43
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide 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

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
3-methyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807161
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133519293
(3R,4R)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 136585608
(S)-1-(1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
CID 90388881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide (CID 22387221) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(c2nc(C)ns2)CC1=O.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is HWRDADSBIZUYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-8(10(12)17)15-5-7(4-9(15)16)11-13-6(2)14-18-11/h7-8H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 268.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).