3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione

C9H12N4O2S — CID 62195233

IUPAC3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C9H12N4O2S/c1-5-3-7(14)13(9(5)15)4-6-8(10-2)16-12-11-6/h5,10H,3-4H2,1-2H3
InChIKeyYKQAEUTVUVDAMY-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.47
Rot. Bonds3

About 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione

3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 62195233) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID62195233
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C9H12N4O2S/c1-5-3-7(14)13(9(5)15)4-6-8(10-2)16-12-11-6/h5,10H,3-4H2,1-2H3
InChIKeyYKQAEUTVUVDAMY-UHFFFAOYSA-N
XLogP0.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 62195233) is 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is CNc1snnc1CN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is YKQAEUTVUVDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-5-3-7(14)13(9(5)15)4-6-8(10-2)16-12-11-6/h5,10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 240.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62195233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).