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

C13H24N4O2S2 — CID 75376986

IUPAC3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCCCS(=O)(=O)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H24N4O2S2/c1-3-5-6-11-21(18,19)17-9-7-16(8-10-17)13-14-12(4-2)15-20-13/h3-11H2,1-2H3
InChIKeyMZYRIVGLKBWPEH-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.74
Rot. Bonds7

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

3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 75376986) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID75376986
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCCCS(=O)(=O)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H24N4O2S2/c1-3-5-6-11-21(18,19)17-9-7-16(8-10-17)13-14-12(4-2)15-20-13/h3-11H2,1-2H3
InChIKeyMZYRIVGLKBWPEH-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethyl-5-(4-pentylsulfonylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole (CID 75376986) is 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole is CCCCCS(=O)(=O)N1CCN(c2nc(CC)ns2)CC1.
What is the InChIKey of 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is MZYRIVGLKBWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-3-5-6-11-21(18,19)17-9-7-16(8-10-17)13-14-12(4-2)15-20-13/h3-11H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 332.50 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-pentylsulfonylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 75376986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).