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

C11H20N4S — CID 126823483

IUPAC3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-5-9-12-10(16-13-9)15-7-6-14(4)11(2,3)8-15/h5-8H2,1-4H3
InChIKeyLUQYTMCXCOPHEJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.63
Rot. Bonds2

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

3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 126823483) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID126823483
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C11H20N4S/c1-5-9-12-10(16-13-9)15-7-6-14(4)11(2,3)8-15/h5-8H2,1-4H3
InChIKeyLUQYTMCXCOPHEJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole (CID 126823483) is 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is LUQYTMCXCOPHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-5-9-12-10(16-13-9)15-7-6-14(4)11(2,3)8-15/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 240.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 126823483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).