3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C12H17N5OS — CID 79659038

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCN1CCN(C)C(c2noc(-c3ccsc3N)n2)C1
InChIInChI=1S/C12H17N5OS/c1-16-4-5-17(2)9(7-16)11-14-12(18-15-11)8-3-6-19-10(8)13/h3,6,9H,4-5,7,13H2,1-2H3
InChIKeyJJEOVULTCXTKDT-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.30
Rot. Bonds2

About 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 79659038) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID79659038
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCN1CCN(C)C(c2noc(-c3ccsc3N)n2)C1
InChIInChI=1S/C12H17N5OS/c1-16-4-5-17(2)9(7-16)11-14-12(18-15-11)8-3-6-19-10(8)13/h3,6,9H,4-5,7,13H2,1-2H3
InChIKeyJJEOVULTCXTKDT-UHFFFAOYSA-N
XLogP1.30
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 79659038) is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CN1CCN(C)C(c2noc(-c3ccsc3N)n2)C1.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is JJEOVULTCXTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-16-4-5-17(2)9(7-16)11-14-12(18-15-11)8-3-6-19-10(8)13/h3,6,9H,4-5,7,13H2,1-2H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 279.37 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 79659038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).