2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide

C14H19N5O2S2 — CID 133484684

IUPAC2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCN1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H19N5O2S2/c15-23(20,21)11-10-18-6-8-19(9-7-18)14-16-13(17-22-14)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,20,21)
InChIKeySEZXRVZNVAQZKU-UHFFFAOYSA-N
MW353.47 g/mol
LogP0.62
Rot. Bonds5

About 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide

2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide (PubChem CID 133484684) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
PubChem CID133484684
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC Name2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCN1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C14H19N5O2S2/c15-23(20,21)11-10-18-6-8-19(9-7-18)14-16-13(17-22-14)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,20,21)
InChIKeySEZXRVZNVAQZKU-UHFFFAOYSA-N
XLogP0.62
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133310556
3-(4-methylphenyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71204247
3-phenyl-5-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 68528255
(2R)-1,1,1-trifluoro-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-2-ol
CID 6975603
1-(2,3-dihydroindol-1-yl)-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317706
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
3-(2-methyl-4-pyridinyl)-5-[4-(2-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 71187229
[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683266
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123480114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide (CID 133484684) is 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide is NS(=O)(=O)CCN1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide?
The InChIKey is SEZXRVZNVAQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c15-23(20,21)11-10-18-6-8-19(9-7-18)14-16-13(17-22-14)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,20,21).
What are the key properties of 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide?
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanesulfonamide is sourced from PubChem (CID 133484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).