[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone

C18H19N5O2S — CID 53134086

IUPAC[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccsc3)CC2)o1
InChIInChI=1S/C18H19N5O2S/c1-2-15-20-21-17(25-15)14-4-3-6-19-16(14)22-7-9-23(10-8-22)18(24)13-5-11-26-12-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyPYXXEPKRBKTDQJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.72
Rot. Bonds4

About [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53134086) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID53134086
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccsc3)CC2)o1
InChIInChI=1S/C18H19N5O2S/c1-2-15-20-21-17(25-15)14-4-3-6-19-16(14)22-7-9-23(10-8-22)18(24)13-5-11-26-12-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyPYXXEPKRBKTDQJ-UHFFFAOYSA-N
XLogP2.72
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 53134086) is [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone is CCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccsc3)CC2)o1.
What is the InChIKey of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is PYXXEPKRBKTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-2-15-20-21-17(25-15)14-4-3-6-19-16(14)22-7-9-23(10-8-22)18(24)13-5-11-26-12-13/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 369.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53134086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).