3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole

C10H18N4S — CID 65280832

IUPAC3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCNCC2CC)n1
InChIInChI=1S/C10H18N4S/c1-3-8-7-11-5-6-14(8)10-12-9(4-2)13-15-10/h8,11H,3-7H2,1-2H3
InChIKeyXCZVEKMXJAXIJI-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.29
Rot. Bonds3

About 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole

3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 65280832) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID65280832
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCNCC2CC)n1
InChIInChI=1S/C10H18N4S/c1-3-8-7-11-5-6-14(8)10-12-9(4-2)13-15-10/h8,11H,3-7H2,1-2H3
InChIKeyXCZVEKMXJAXIJI-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine
CID 105363338
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
(2S,5R)-2,5-diethyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 125422045
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
CID 66213193
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone
CID 119899809
4-ethyl-6-(2-ethylpiperazin-1-yl)pyrimidine
CID 63600778
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65275780
5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 130948770
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole (CID 65280832) is 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCNCC2CC)n1.
What is the InChIKey of 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is XCZVEKMXJAXIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-8-7-11-5-6-14(8)10-12-9(4-2)13-15-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65280832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).