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

C8H12N4OS2 — CID 558211

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C8H12N4OS2/c9-7-10-11-8(15-7)14-5-6(13)12-3-1-2-4-12/h1-5H2,(H2,9,10)
InChIKeySYEPKTKKTFKMNZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.83
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 558211) has the molecular formula C8H12N4OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID558211
Molecular FormulaC8H12N4OS2
Molecular Weight244.34 g/mol
Exact Mass244.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C8H12N4OS2/c9-7-10-11-8(15-7)14-5-6(13)12-3-1-2-4-12/h1-5H2,(H2,9,10)
InChIKeySYEPKTKKTFKMNZ-UHFFFAOYSA-N
XLogP0.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 558211) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is Nc1nnc(SCC(=O)N2CCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SYEPKTKKTFKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS2/c9-7-10-11-8(15-7)14-5-6(13)12-3-1-2-4-12/h1-5H2,(H2,9,10).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 244.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 558211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).