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

C12H22N4OS — CID 43949855

IUPAC3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole
SMILESCCN1CCN(c2nsnc2OCC(C)C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-15-5-7-16(8-6-15)11-12(14-18-13-11)17-9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyGWZZIVUJLXPSDC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.71
Rot. Bonds5

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

3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole (PubChem CID 43949855) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole
PubChem CID43949855
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole
SMILESCCN1CCN(c2nsnc2OCC(C)C)CC1
InChIInChI=1S/C12H22N4OS/c1-4-15-5-7-16(8-6-15)11-12(14-18-13-11)17-9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyGWZZIVUJLXPSDC-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole (CID 43949855) is 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole is CCN1CCN(c2nsnc2OCC(C)C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole?
The InChIKey is GWZZIVUJLXPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-15-5-7-16(8-6-15)11-12(14-18-13-11)17-9-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole?
3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole has a molecular weight of 270.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43949855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).