1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

C8H10N4O2S2 — CID 8633179

IUPAC1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C8H10N4O2S2/c9-7-10-11-8(16-7)15-4-6(14)12-3-1-2-5(12)13/h1-4H2,(H2,9,10)
InChIKeyONTJBGRYZYORHJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.36
Rot. Bonds3

About 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one

1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (PubChem CID 8633179) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
PubChem CID8633179
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
SMILESNc1nnc(SCC(=O)N2CCCC2=O)s1
InChIInChI=1S/C8H10N4O2S2/c9-7-10-11-8(16-7)15-4-6(14)12-3-1-2-5(12)13/h1-4H2,(H2,9,10)
InChIKeyONTJBGRYZYORHJ-UHFFFAOYSA-N
XLogP0.36
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
1-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl}-N-ethylpyrrolidine-3-carboxamide
CID 46994099
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
1-[2-[[5-(Tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 17415678
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 46984029
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481296
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481299
(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 8229116
(2R)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 8229118
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butyl-N-ethylacetamide
CID 9199544
2-[[5-[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9375744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one (CID 8633179) is 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is Nc1nnc(SCC(=O)N2CCCC2=O)s1.
What is the InChIKey of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
The InChIKey is ONTJBGRYZYORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c9-7-10-11-8(16-7)15-4-6(14)12-3-1-2-5(12)13/h1-4H2,(H2,9,10).
What are the key properties of 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one?
1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one has a molecular weight of 258.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 8633179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).