2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride

C14H21Cl2N5O2S — CID 119868196

IUPAC2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCC(c1nc(-c2cccs2)no1)N1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C14H19N5O2S.2ClH/c1-10(18-4-6-19(7-5-18)12(20)9-15)14-16-13(17-21-14)11-3-2-8-22-11;;/h2-3,8,10H,4-7,9,15H2,1H3;2*1H
InChIKeySEVKJOCPTBXLCJ-UHFFFAOYSA-N
MW394.33 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride

2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119868196) has the molecular formula C14H21Cl2N5O2S and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119868196
Molecular FormulaC14H21Cl2N5O2S
Molecular Weight394.33 g/mol
Exact Mass393.08
IUPAC Name2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCC(c1nc(-c2cccs2)no1)N1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C14H19N5O2S.2ClH/c1-10(18-4-6-19(7-5-18)12(20)9-15)14-16-13(17-21-14)11-3-2-8-22-11;;/h2-3,8,10H,4-7,9,15H2,1H3;2*1H
InChIKeySEVKJOCPTBXLCJ-UHFFFAOYSA-N
XLogP1.81
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868200
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120799295
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111488051
[(2R)-piperidin-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 119868171
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46446075
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
7-amino-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]heptan-1-one
CID 119857095

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride (CID 119868196) is 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride is CC(c1nc(-c2cccs2)no1)N1CCN(C(=O)CN)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is SEVKJOCPTBXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.2ClH/c1-10(18-4-6-19(7-5-18)12(20)9-15)14-16-13(17-21-14)11-3-2-8-22-11;;/h2-3,8,10H,4-7,9,15H2,1H3;2*1H.
What are the key properties of 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride?
2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 394.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119868196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).