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

C10H14N4O2S — CID 62195234

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C10H14N4O2S/c1-3-11-9-7(12-13-17-9)5-14-8(15)4-6(2)10(14)16/h6,11H,3-5H2,1-2H3
InChIKeyPEZBPNNHSXUOFH-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.86
Rot. Bonds4

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62195234) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62195234
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C10H14N4O2S/c1-3-11-9-7(12-13-17-9)5-14-8(15)4-6(2)10(14)16/h6,11H,3-5H2,1-2H3
InChIKeyPEZBPNNHSXUOFH-UHFFFAOYSA-N
XLogP0.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.86
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-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione (CID 62195234) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione is CCNc1snnc1CN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is PEZBPNNHSXUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-11-9-7(12-13-17-9)5-14-8(15)4-6(2)10(14)16/h6,11H,3-5H2,1-2H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 254.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62195234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).