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

C7H9N3OS2 — CID 131064995

IUPAC1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CSc1nncs1
InChIInChI=1S/C7H9N3OS2/c11-6-2-1-3-10(6)5-13-7-9-8-4-12-7/h4H,1-3,5H2
InChIKeyLJXQTBIQIUCKMZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.21
Rot. Bonds3

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

1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one (PubChem CID 131064995) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one
PubChem CID131064995
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CSc1nncs1
InChIInChI=1S/C7H9N3OS2/c11-6-2-1-3-10(6)5-13-7-9-8-4-12-7/h4H,1-3,5H2
InChIKeyLJXQTBIQIUCKMZ-UHFFFAOYSA-N
XLogP1.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one (CID 131064995) is 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one is O=C1CCCN1CSc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one?
The InChIKey is LJXQTBIQIUCKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c11-6-2-1-3-10(6)5-13-7-9-8-4-12-7/h4H,1-3,5H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one?
1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 131064995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).