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

C12H19N5O2S — CID 62209524

IUPAC1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
SMILESCCCNc1snnc1CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-13-10-9(14-15-20-10)8-17-7-6-16(4-2)11(18)12(17)19/h13H,3-8H2,1-2H3
InChIKeyMMEBZPAUTNFJMZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.55
Rot. Bonds6

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

1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione (PubChem CID 62209524) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
PubChem CID62209524
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
SMILESCCCNc1snnc1CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-13-10-9(14-15-20-10)8-17-7-6-16(4-2)11(18)12(17)19/h13H,3-8H2,1-2H3
InChIKeyMMEBZPAUTNFJMZ-UHFFFAOYSA-N
XLogP0.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 62209214
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62209223
5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62207477
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006
4-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-dihydroquinoxalin-2-one
CID 62182352
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
CID 79941763
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
CID 62184364
[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
CID 62208088
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 83222159
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770509
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione (CID 62209524) is 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione is CCCNc1snnc1CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is MMEBZPAUTNFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-5-13-10-9(14-15-20-10)8-17-7-6-16(4-2)11(18)12(17)19/h13H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione?
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 297.38 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 62209524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).