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

C10H12ClN3OS — CID 119947992

IUPAC1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C10H11N3OS.ClH/c11-10(3-4-10)9-12-8(13-14-9)6-7-2-1-5-15-7;/h1-2,5H,3-4,6,11H2;1H
InChIKeyQZPGSFYLWNHJMV-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.09
Rot. Bonds3

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

1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (PubChem CID 119947992) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
PubChem CID119947992
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C10H11N3OS.ClH/c11-10(3-4-10)9-12-8(13-14-9)6-7-2-1-5-15-7;/h1-2,5H,3-4,6,11H2;1H
InChIKeyQZPGSFYLWNHJMV-UHFFFAOYSA-N
XLogP2.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride (CID 119947992) is 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nc(Cc3cccs3)no2)CC1.
What is the InChIKey of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
The InChIKey is QZPGSFYLWNHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS.ClH/c11-10(3-4-10)9-12-8(13-14-9)6-7-2-1-5-15-7;/h1-2,5H,3-4,6,11H2;1H.
What are the key properties of 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride?
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride has a molecular weight of 257.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 119947992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).