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

C7H9N3OS2 — CID 127002454

IUPAC1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
SMILESCN1CCC(Sc2nncs2)C1=O
InChIInChI=1S/C7H9N3OS2/c1-10-3-2-5(6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3
InChIKeyWCDXMBFUPCDRFX-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.86
Rot. Bonds2

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

1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one (PubChem CID 127002454) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
PubChem CID127002454
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
SMILESCN1CCC(Sc2nncs2)C1=O
InChIInChI=1S/C7H9N3OS2/c1-10-3-2-5(6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3
InChIKeyWCDXMBFUPCDRFX-UHFFFAOYSA-N
XLogP0.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one (CID 127002454) is 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one is CN1CCC(Sc2nncs2)C1=O.
What is the InChIKey of 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
The InChIKey is WCDXMBFUPCDRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-10-3-2-5(6(10)11)13-7-9-8-4-12-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one?
1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one has a molecular weight of 215.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one is sourced from PubChem (CID 127002454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).