(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C17H16N4O2S2 — CID 68614206

IUPAC(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCCC1c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H16N4O2S2/c1-24-16-11(5-2-8-18-16)17(22)21-9-3-6-12(21)14-19-20-15(23-14)13-7-4-10-25-13/h2,4-5,7-8,10,12H,3,6,9H2,1H3
InChIKeyZVIJQHPGOGJMQQ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.89
Rot. Bonds4

About (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 68614206) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID68614206
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCCC1c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H16N4O2S2/c1-24-16-11(5-2-8-18-16)17(22)21-9-3-6-12(21)14-19-20-15(23-14)13-7-4-10-25-13/h2,4-5,7-8,10,12H,3,6,9H2,1H3
InChIKeyZVIJQHPGOGJMQQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892522
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 110224561
(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92598801
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 53039340
[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95057633
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95896268
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70780184
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
CID 47124111
(2-methoxy-3-pyridinyl)-[(2R)-2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129486748

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 68614206) is (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is CSc1ncccc1C(=O)N1CCCC1c1nnc(-c2cccs2)o1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZVIJQHPGOGJMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-24-16-11(5-2-8-18-16)17(22)21-9-3-6-12(21)14-19-20-15(23-14)13-7-4-10-25-13/h2,4-5,7-8,10,12H,3,6,9H2,1H3.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 372.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68614206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).