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

C12H19N5O2S — CID 79941763

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2nnsc2NCC)CC1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-16-7-11(19)17(8-10(16)18)6-9-12(13-4-2)20-15-14-9/h13H,3-8H2,1-2H3
InChIKeyQYQLIORIGJSHBK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.55
Rot. Bonds6

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione (PubChem CID 79941763) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
PubChem CID79941763
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2nnsc2NCC)CC1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-16-7-11(19)17(8-10(16)18)6-9-12(13-4-2)20-15-14-9/h13H,3-8H2,1-2H3
InChIKeyQYQLIORIGJSHBK-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

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Related Compounds

N-ethyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine
CID 62178572
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione
CID 79941673
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62209223
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
CID 113382332
4-(1,3-dihydroisoindol-2-ylmethyl)-N-ethylthiadiazol-5-amine
CID 62231992
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
CID 62209524
N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine
CID 114539495
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64831018
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62208007
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509
2-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4H-isoquinoline-1,3-dione
CID 62209408
4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 63633354

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione (CID 79941763) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2nnsc2NCC)CC1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is QYQLIORIGJSHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-5-16-7-11(19)17(8-10(16)18)6-9-12(13-4-2)20-15-14-9/h13H,3-8H2,1-2H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-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-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79941763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).