1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

C9H12ClN3OS — CID 130762807

IUPAC1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(Cc2ccsc2)no1.Cl
InChIInChI=1S/C9H11N3OS.ClH/c1-6(10)9-11-8(12-13-9)4-7-2-3-14-5-7;/h2-3,5-6H,4,10H2,1H3;1H
InChIKeyWXRCHXSUXQWUDY-UHFFFAOYSA-N
MW245.74 g/mol
LogP2.16
Rot. Bonds3

About 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 130762807) has the molecular formula C9H12ClN3OS and a molecular weight of 245.74 g/mol. Its IUPAC name is 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID130762807
Molecular FormulaC9H12ClN3OS
Molecular Weight245.74 g/mol
Exact Mass245.04
IUPAC Name1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCC(N)c1nc(Cc2ccsc2)no1.Cl
InChIInChI=1S/C9H11N3OS.ClH/c1-6(10)9-11-8(12-13-9)4-7-2-3-14-5-7;/h2-3,5-6H,4,10H2,1H3;1H
InChIKeyWXRCHXSUXQWUDY-UHFFFAOYSA-N
XLogP2.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 130762807) is 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is CC(N)c1nc(Cc2ccsc2)no1.Cl.
What is the InChIKey of 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is WXRCHXSUXQWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS.ClH/c1-6(10)9-11-8(12-13-9)4-7-2-3-14-5-7;/h2-3,5-6H,4,10H2,1H3;1H.
What are the key properties of 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 245.74 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 130762807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).