5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C16H16N4O3S3 — CID 17469667

IUPAC5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(SCc2nc(-c3ccsc3)no2)nc1)N1CCCC1
InChIInChI=1S/C16H16N4O3S3/c21-26(22,20-6-1-2-7-20)13-3-4-15(17-9-13)25-11-14-18-16(19-23-14)12-5-8-24-10-12/h3-5,8-10H,1-2,6-7,11H2
InChIKeyHLBAGYYDGHQDFS-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.27
Rot. Bonds6

About 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 17469667) has the molecular formula C16H16N4O3S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID17469667
Molecular FormulaC16H16N4O3S3
Molecular Weight408.53 g/mol
Exact Mass408.04
IUPAC Name5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(SCc2nc(-c3ccsc3)no2)nc1)N1CCCC1
InChIInChI=1S/C16H16N4O3S3/c21-26(22,20-6-1-2-7-20)13-3-4-15(17-9-13)25-11-14-18-16(19-23-14)12-5-8-24-10-12/h3-5,8-10H,1-2,6-7,11H2
InChIKeyHLBAGYYDGHQDFS-UHFFFAOYSA-N
XLogP3.27
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole 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-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211
5-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649677
2-ethyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130725
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 26733074
5-[[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642820
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 27381247
5-[[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642842
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-(oxan-2-ylmethylsulfanyl)-5-pyrrolidin-1-ylsulfonylpyridine
CID 42928894

Frequently Asked Questions

What is the IUPAC name of 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 17469667) is 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(SCc2nc(-c3ccsc3)no2)nc1)N1CCCC1.
What is the InChIKey of 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is HLBAGYYDGHQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S3/c21-26(22,20-6-1-2-7-20)13-3-4-15(17-9-13)25-11-14-18-16(19-23-14)12-5-8-24-10-12/h3-5,8-10H,1-2,6-7,11H2.
What are the key properties of 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 408.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 17469667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).