1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

C8H10N4O2S — CID 62194699

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C8H10N4O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3,9H2,1H3
InChIKeyMUWVYJHWSJHYDV-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.02
Rot. Bonds2

About 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62194699) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62194699
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2nnsc2N)C1=O
InChIInChI=1S/C8H10N4O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3,9H2,1H3
InChIKeyMUWVYJHWSJHYDV-UHFFFAOYSA-N
XLogP0.02
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-isobutyl-N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50965503
3-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 55044825
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61238269
2-[(5-Aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62183872
3-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 62195233
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62195234
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 62207108
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 62207281
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 62207282
1-[(5-Aminothiadiazol-4-yl)methyl]pyrrolidin-2-one
CID 62207970
3-[(5-Aminothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 62208688
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one
CID 62208840

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione (CID 62194699) is 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2nnsc2N)C1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is MUWVYJHWSJHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-4-2-6(13)12(8(4)14)3-5-7(9)15-11-10-5/h4H,2-3,9H2,1H3.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 226.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62194699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).