3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one

C6H7N3OS2 — CID 130683320

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
SMILESO=C1NCCC1Sc1nncs1
InChIInChI=1S/C6H7N3OS2/c10-5-4(1-2-7-5)12-6-9-8-3-11-6/h3-4H,1-2H2,(H,7,10)
InChIKeyKRKJRUFERZBAEQ-UHFFFAOYSA-N
MW201.28 g/mol
LogP0.52
Rot. Bonds2

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

3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one (PubChem CID 130683320) has the molecular formula C6H7N3OS2 and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
PubChem CID130683320
Molecular FormulaC6H7N3OS2
Molecular Weight201.28 g/mol
Exact Mass201.00
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
SMILESO=C1NCCC1Sc1nncs1
InChIInChI=1S/C6H7N3OS2/c10-5-4(1-2-7-5)12-6-9-8-3-11-6/h3-4H,1-2H2,(H,7,10)
InChIKeyKRKJRUFERZBAEQ-UHFFFAOYSA-N
XLogP0.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one (CID 130683320) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one is O=C1NCCC1Sc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The InChIKey is KRKJRUFERZBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS2/c10-5-4(1-2-7-5)12-6-9-8-3-11-6/h3-4H,1-2H2,(H,7,10).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one has a molecular weight of 201.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one is sourced from PubChem (CID 130683320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).