3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole

C11H20N4OS — CID 133328564

IUPAC3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCOC)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16-2/h3-9H2,1-2H3
InChIKeyRIUXBCSTQHTDAY-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.87
Rot. Bonds5

About 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133328564) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133328564
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CCOC)CC2)n1
InChIInChI=1S/C11H20N4OS/c1-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16-2/h3-9H2,1-2H3
InChIKeyRIUXBCSTQHTDAY-UHFFFAOYSA-N
XLogP0.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328707
3-ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126817237
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine
CID 65270394
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274711
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 75425181
3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 126823483

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133328564) is 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN(CCOC)CC2)n1.
What is the InChIKey of 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is RIUXBCSTQHTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-10-12-11(17-13-10)15-6-4-14(5-7-15)8-9-16-2/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 256.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133328564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).