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

C13H19N5OS — CID 79659035

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(C3CN(C)CCN3C)no2)c(N)s1
InChIInChI=1S/C13H19N5OS/c1-8-6-9(11(14)20-8)13-15-12(16-19-13)10-7-17(2)4-5-18(10)3/h6,10H,4-5,7,14H2,1-3H3
InChIKeyVAHKHMOCIZCUKX-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.61
Rot. Bonds2

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

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (PubChem CID 79659035) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
PubChem CID79659035
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc(C3CN(C)CCN3C)no2)c(N)s1
InChIInChI=1S/C13H19N5OS/c1-8-6-9(11(14)20-8)13-15-12(16-19-13)10-7-17(2)4-5-18(10)3/h6,10H,4-5,7,14H2,1-3H3
InChIKeyVAHKHMOCIZCUKX-UHFFFAOYSA-N
XLogP1.61
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.61
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]-5-methylthiophen-2-amine?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine (CID 79659035) is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine is Cc1cc(-c2nc(C3CN(C)CCN3C)no2)c(N)s1.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
The InChIKey is VAHKHMOCIZCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-6-9(11(14)20-8)13-15-12(16-19-13)10-7-17(2)4-5-18(10)3/h6,10H,4-5,7,14H2,1-3H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine?
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine has a molecular weight of 293.40 g/mol, XLogP of 1.61, 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]-5-methylthiophen-2-amine is sourced from PubChem (CID 79659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).