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

C17H17N3O2S2 — CID 71793008

IUPAC2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-15(10-14-2-1-8-24-14)20-6-3-12(4-7-20)16-18-19-17(22-16)13-5-9-23-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyZYTUZXDLXCWYEG-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.81
Rot. Bonds4

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

2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 71793008) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID71793008
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-15(10-14-2-1-8-24-14)20-6-3-12(4-7-20)16-18-19-17(22-16)13-5-9-23-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyZYTUZXDLXCWYEG-UHFFFAOYSA-N
XLogP3.81
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 90543153
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114507
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
N-(4-chlorophenyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114489
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116730
1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 42522322
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
N-[(4-methoxyphenyl)methyl]-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 71793024
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116704
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
3H-benzimidazol-5-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71792993

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 71793008) is 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ZYTUZXDLXCWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-15(10-14-2-1-8-24-14)20-6-3-12(4-7-20)16-18-19-17(22-16)13-5-9-23-11-13/h1-2,5,8-9,11-12H,3-4,6-7,10H2.
What are the key properties of 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 359.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71793008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).