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

C11H16N4O2S — CID 55044825

IUPAC3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C11H16N4O2S/c1-3-4-12-10-8(13-14-18-10)6-15-9(16)5-7(2)11(15)17/h7,12H,3-6H2,1-2H3
InChIKeyBDYUXTJTNMQVAJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.25
Rot. Bonds5

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

3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 55044825) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID55044825
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCCCNc1snnc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C11H16N4O2S/c1-3-4-12-10-8(13-14-18-10)6-15-9(16)5-7(2)11(15)17/h7,12H,3-6H2,1-2H3
InChIKeyBDYUXTJTNMQVAJ-UHFFFAOYSA-N
XLogP1.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.25
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

5,5-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046675
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
CID 62177707
1-[[5-(Propylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
CID 62177708
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]piperidine-4-carboxamide
CID 62177869
2-[Methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 62181957
2-[Methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 62184214
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62184215
1-[(5-Aminothiadiazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 62194699
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
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 62207092
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 62207093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 55044825) is 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is CCCNc1snnc1CN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is BDYUXTJTNMQVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-4-12-10-8(13-14-18-10)6-15-9(16)5-7(2)11(15)17/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione?
3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 268.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55044825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).