2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride

C11H14ClN3OS — CID 6602772

IUPAC2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H13N3OS.ClH/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H
InChIKeyYFNQNZDBYWOVNX-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.28
Rot. Bonds5

About 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride

2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (PubChem CID 6602772) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
PubChem CID6602772
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H13N3OS.ClH/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H
InChIKeyYFNQNZDBYWOVNX-UHFFFAOYSA-N
XLogP2.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 932466
tert-butyl N-[2-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 933649
2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethylamine
CID 16682348
2-(5-((2-Chloro-6-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603367
(E)-5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride
CID 6603472
2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6603599
(S,E)-1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine hydrochloride
CID 9551860
2-[5-(2,6-Dichloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethylamine
CID 16682533
5-{5-[(3-Methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
CID 1624535
2-(5-((2,5-Dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6602828
2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride
CID 6603348
2-Benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (CID 6602772) is 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is Cl.NCCc1nnc(SCc2ccccc2)o1.
What is the InChIKey of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is YFNQNZDBYWOVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS.ClH/c12-7-6-10-13-14-11(15-10)16-8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2;1H.
What are the key properties of 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 6602772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).