1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine

C14H20N4OS — CID 63255943

IUPAC1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H20N4OS/c1-10(15)12-4-2-3-6-18(12)8-13-16-14(17-19-13)11-5-7-20-9-11/h5,7,9-10,12H,2-4,6,8,15H2,1H3
InChIKeyMNQTWKYPRJJSGN-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.50
Rot. Bonds4

About 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63255943) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63255943
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H20N4OS/c1-10(15)12-4-2-3-6-18(12)8-13-16-14(17-19-13)11-5-7-20-9-11/h5,7,9-10,12H,2-4,6,8,15H2,1H3
InChIKeyMNQTWKYPRJJSGN-UHFFFAOYSA-N
XLogP2.50
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine with MolForge

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Related Compounds

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245
N,N-dimethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 71943818
1-[(2R)-2-[(2S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95319673
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
3-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 107072199
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 51223862
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
1-[1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]propan-1-ol
CID 111332122

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine (CID 63255943) is 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is MNQTWKYPRJJSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(15)12-4-2-3-6-18(12)8-13-16-14(17-19-13)11-5-7-20-9-11/h5,7,9-10,12H,2-4,6,8,15H2,1H3.
What are the key properties of 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 292.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).