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

C17H16N4O2S2 — CID 124892522

IUPAC(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCSc1ncccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C17H16N4O2S2/c1-24-16-12(4-2-7-18-16)17(22)21-8-6-11(10-21)14-19-15(23-20-14)13-5-3-9-25-13/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyRTURBDQHKNKCHU-LLVKDONJSA-N
MW372.48 g/mol
LogP3.54
Rot. Bonds4

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

(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124892522) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID124892522
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCSc1ncccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C17H16N4O2S2/c1-24-16-12(4-2-7-18-16)17(22)21-8-6-11(10-21)14-19-15(23-20-14)13-5-3-9-25-13/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyRTURBDQHKNKCHU-LLVKDONJSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-3-yl-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876341
furan-3-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876340
2-methoxy-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102358
1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759884
[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124877951
(2-methylsulfanyl-3-pyridinyl)-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 68614206
(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 119102370
3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 124874907
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414904
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(3-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 155954717

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 124892522) is (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is CSc1ncccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RTURBDQHKNKCHU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-24-16-12(4-2-7-18-16)17(22)21-8-6-11(10-21)14-19-15(23-20-14)13-5-3-9-25-13/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 372.48 g/mol, XLogP of 3.54, 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)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124892522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).