1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C8H11N3OS2 — CID 112786549

IUPAC1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCCC1
InChIInChI=1S/C8H11N3OS2/c12-7(11-3-1-2-4-11)5-13-8-10-9-6-14-8/h6H,1-5H2
InChIKeyWYONYNZPMZUDHI-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.25
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 112786549) has the molecular formula C8H11N3OS2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID112786549
Molecular FormulaC8H11N3OS2
Molecular Weight229.33 g/mol
Exact Mass229.03
IUPAC Name1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)N1CCCC1
InChIInChI=1S/C8H11N3OS2/c12-7(11-3-1-2-4-11)5-13-8-10-9-6-14-8/h6H,1-5H2
InChIKeyWYONYNZPMZUDHI-UHFFFAOYSA-N
XLogP1.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 112786549) is 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is WYONYNZPMZUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS2/c12-7(11-3-1-2-4-11)5-13-8-10-9-6-14-8/h6H,1-5H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 229.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 112786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).