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

C8H9N3OS — CID 40800258

IUPAC(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(-c2cccs2)no1
InChIInChI=1S/C8H9N3OS/c1-5(9)8-10-7(11-12-8)6-3-2-4-13-6/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyPRPBJYGHBVQGHP-YFKPBYRVSA-N
MW195.25 g/mol
LogP1.82
Rot. Bonds2

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

(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 40800258) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID40800258
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(-c2cccs2)no1
InChIInChI=1S/C8H9N3OS/c1-5(9)8-10-7(11-12-8)6-3-2-4-13-6/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyPRPBJYGHBVQGHP-YFKPBYRVSA-N
XLogP1.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120760924
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 40800258) is (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is C[C@H](N)c1nc(-c2cccs2)no1.
What is the InChIKey of (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is PRPBJYGHBVQGHP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5(9)8-10-7(11-12-8)6-3-2-4-13-6/h2-5H,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 195.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 40800258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).