1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

C12H11N3O3S2 — CID 2592860

IUPAC1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H11N3O3S2/c16-9-4-1-5-15(9)10(17)7-20-12-14-13-11(18-12)8-3-2-6-19-8/h2-3,6H,1,4-5,7H2
InChIKeySBIXTKGDTQJHJJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds4

About 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 2592860) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID2592860
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H11N3O3S2/c16-9-4-1-5-15(9)10(17)7-20-12-14-13-11(18-12)8-3-2-6-19-8/h2-3,6H,1,4-5,7H2
InChIKeySBIXTKGDTQJHJJ-UHFFFAOYSA-N
XLogP2.04
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2593078
1-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 5187410
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 7981721
1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7606641
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 1073185
N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 38924044
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 41250707

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (CID 2592860) is 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is SBIXTKGDTQJHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c16-9-4-1-5-15(9)10(17)7-20-12-14-13-11(18-12)8-3-2-6-19-8/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 2592860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).