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

C14H20N4OS — CID 63594663

IUPAC1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C14H20N4OS/c1-10(15)11-4-6-18(7-5-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3
InChIKeyXGCDYCDDTQSLGO-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.36
Rot. Bonds4

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

1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63594663) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63594663
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C14H20N4OS/c1-10(15)11-4-6-18(7-5-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3
InChIKeyXGCDYCDDTQSLGO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994060
N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50994142
3-Piperidin-1-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 2823630
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 150956546
N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucyl-glycine-nitrile
CID 50994140
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 50994141
4,4,4-Trifluoro-1-[4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]-1-piperidyl]butan-1-one
CID 56946368
5-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 155516327
[5-(Thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 17604989
(2s)-2-Amino-3-Methyl-1-{4-[3-(Thiophen-2-Yl)-1,2,4-Oxadiazol-5-Yl]piperidin-1-Yl}butan-1-One
CID 52952505
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 155538450
3-Ethyl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 58089077

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 63594663) is 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2noc(-c3cccs3)n2)CC1.
What is the InChIKey of 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is XGCDYCDDTQSLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(15)11-4-6-18(7-5-11)9-13-16-14(19-17-13)12-3-2-8-20-12/h2-3,8,10-11H,4-7,9,15H2,1H3.
What are the key properties of 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 292.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).