1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one

C8H12N4OS — CID 80608552

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(Cc2nnc(N)s2)C1
InChIInChI=1S/C8H12N4OS/c1-5-2-7(13)12(3-5)4-6-10-11-8(9)14-6/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyUTJRMTUOMWKUPR-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.49
Rot. Bonds2

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one (PubChem CID 80608552) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one
PubChem CID80608552
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(Cc2nnc(N)s2)C1
InChIInChI=1S/C8H12N4OS/c1-5-2-7(13)12(3-5)4-6-10-11-8(9)14-6/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyUTJRMTUOMWKUPR-UHFFFAOYSA-N
XLogP0.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one 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 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one (CID 80608552) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one is CC1CC(=O)N(Cc2nnc(N)s2)C1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one?
The InChIKey is UTJRMTUOMWKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-2-7(13)12(3-5)4-6-10-11-8(9)14-6/h5H,2-4H2,1H3,(H2,9,11).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 80608552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).