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

C15H22N4OS2 — CID 133473932

IUPAC3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(C(C)c3ccsc3)CC2)n1
InChIInChI=1S/C15H22N4OS2/c1-12(13-4-10-21-11-13)18-5-7-19(8-6-18)15-16-14(17-22-15)3-9-20-2/h4,10-12H,3,5-9H2,1-2H3
InChIKeySOJLZMYRTNUDPC-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.67
Rot. Bonds6

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

3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133473932) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133473932
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(C(C)c3ccsc3)CC2)n1
InChIInChI=1S/C15H22N4OS2/c1-12(13-4-10-21-11-13)18-5-7-19(8-6-18)15-16-14(17-22-15)3-9-20-2/h4,10-12H,3,5-9H2,1-2H3
InChIKeySOJLZMYRTNUDPC-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133473932) is 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole is COCCc1nsc(N2CCN(C(C)c3ccsc3)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is SOJLZMYRTNUDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-12(13-4-10-21-11-13)18-5-7-19(8-6-18)15-16-14(17-22-15)3-9-20-2/h4,10-12H,3,5-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 338.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).