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

C8H10N4O2S — CID 62207108

IUPAC1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1snnc1CN1C(=O)CCC1=O
InChIInChI=1S/C8H10N4O2S/c1-9-8-5(10-11-15-8)4-12-6(13)2-3-7(12)14/h9H,2-4H2,1H3
InChIKeyYGDNGLDMWWMWSR-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.23
Rot. Bonds3

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

1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 62207108) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID62207108
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCNc1snnc1CN1C(=O)CCC1=O
InChIInChI=1S/C8H10N4O2S/c1-9-8-5(10-11-15-8)4-12-6(13)2-3-7(12)14/h9H,2-4H2,1H3
InChIKeyYGDNGLDMWWMWSR-UHFFFAOYSA-N
XLogP0.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.23
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 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 62207108) is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is CNc1snnc1CN1C(=O)CCC1=O.
What is the InChIKey of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is YGDNGLDMWWMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-9-8-5(10-11-15-8)4-12-6(13)2-3-7(12)14/h9H,2-4H2,1H3.
What are the key properties of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 226.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).