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

C5H9N3OS — CID 933388

IUPAC2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCSc1nnc(CCN)o1
InChIInChI=1S/C5H9N3OS/c1-10-5-8-7-4(9-5)2-3-6/h2-3,6H2,1H3
InChIKeyFKFYRYHLJJJXQT-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.29
Rot. Bonds3

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

2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 933388) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID933388
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCSc1nnc(CCN)o1
InChIInChI=1S/C5H9N3OS/c1-10-5-8-7-4(9-5)2-3-6/h2-3,6H2,1H3
InChIKeyFKFYRYHLJJJXQT-UHFFFAOYSA-N
XLogP0.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-((5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl)thio)acetamide hydrochloride
CID 11957169
2-{[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1399170
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride
CID 170913375
2-[[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53314636
2-(5-Ethyl-1,3,4-oxadiazol-2-YL)ethanamine
CID 24254482
2-(5-Isopropyl-1,3,4-oxadiazol-2-YL)ethanamine
CID 24254483
2-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 82594252
2-(5-Ethyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 91382204
2-[[5-[2-(Chloroamino)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 118373199
N-chloro-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 124192369

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 933388) is 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CSc1nnc(CCN)o1.
What is the InChIKey of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is FKFYRYHLJJJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-10-5-8-7-4(9-5)2-3-6/h2-3,6H2,1H3.
What are the key properties of 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 159.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 933388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).