ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate

C15H18N4O4S2 — CID 2155761

IUPACethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C15H18N4O4S2/c1-2-22-15(21)19-7-5-18(6-8-19)12(20)10-25-14-17-16-13(23-14)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyBYERUIJFFTWNOV-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.19
Rot. Bonds5

About ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate (PubChem CID 2155761) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
PubChem CID2155761
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Nameethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1
InChIInChI=1S/C15H18N4O4S2/c1-2-22-15(21)19-7-5-18(6-8-19)12(20)10-25-14-17-16-13(23-14)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyBYERUIJFFTWNOV-UHFFFAOYSA-N
XLogP2.19
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate (CID 2155761) is ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1.
What is the InChIKey of ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate?
The InChIKey is BYERUIJFFTWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-2-22-15(21)19-7-5-18(6-8-19)12(20)10-25-14-17-16-13(23-14)11-4-3-9-24-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2155761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).