5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole

C14H18N4O2S2 — CID 2809275

IUPAC5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
SMILESCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H18N4O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)14-15-13(16-21-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyKYKWBVTZDGHGCR-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.68
Rot. Bonds4

About 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole

5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole (PubChem CID 2809275) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
PubChem CID2809275
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole
SMILESCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H18N4O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)14-15-13(16-21-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyKYKWBVTZDGHGCR-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-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 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole (CID 2809275) is 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole is CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole?
The InChIKey is KYKWBVTZDGHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-2-22(19,20)18-10-8-17(9-11-18)14-15-13(16-21-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole?
5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole has a molecular weight of 338.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylpiperazin-1-yl)-3-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 2809275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).