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

C5H10ClN3OS — CID 52995250

IUPAC(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCSc1nnc([C@H](C)N)o1.Cl
InChIInChI=1S/C5H9N3OS.ClH/c1-3(6)4-7-8-5(9-4)10-2;/h3H,6H2,1-2H3;1H/t3-;/m0./s1
InChIKeyHBZNTEYFNFZHEH-DFWYDOINSA-N
MW195.68 g/mol
LogP1.23
Rot. Bonds2

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

(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (PubChem CID 52995250) has the molecular formula C5H10ClN3OS and a molecular weight of 195.68 g/mol. Its IUPAC name is (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
PubChem CID52995250
Molecular FormulaC5H10ClN3OS
Molecular Weight195.68 g/mol
Exact Mass195.02
IUPAC Name(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCSc1nnc([C@H](C)N)o1.Cl
InChIInChI=1S/C5H9N3OS.ClH/c1-3(6)4-7-8-5(9-4)10-2;/h3H,6H2,1-2H3;1H/t3-;/m0./s1
InChIKeyHBZNTEYFNFZHEH-DFWYDOINSA-N
XLogP1.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.68
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (CID 52995250) is (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is CSc1nnc([C@H](C)N)o1.Cl.
What is the InChIKey of (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is HBZNTEYFNFZHEH-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9N3OS.ClH/c1-3(6)4-7-8-5(9-4)10-2;/h3H,6H2,1-2H3;1H/t3-;/m0./s1.
What are the key properties of (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 195.68 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 52995250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).