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

C15H17ClN4O4S2 — CID 2155773

IUPACethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1
InChIInChI=1S/C15H17ClN4O4S2/c1-2-23-15(22)20-7-5-19(6-8-20)12(21)9-25-14-18-17-13(24-14)10-3-4-11(16)26-10/h3-4H,2,5-9H2,1H3
InChIKeyXQMOSEAOGXDKDB-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.84
Rot. Bonds5

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

ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate (PubChem CID 2155773) has the molecular formula C15H17ClN4O4S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
PubChem CID2155773
Molecular FormulaC15H17ClN4O4S2
Molecular Weight416.91 g/mol
Exact Mass416.04
IUPAC Nameethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1
InChIInChI=1S/C15H17ClN4O4S2/c1-2-23-15(22)20-7-5-19(6-8-20)12(21)9-25-14-18-17-13(24-14)10-3-4-11(16)26-10/h3-4H,2,5-9H2,1H3
InChIKeyXQMOSEAOGXDKDB-UHFFFAOYSA-N
XLogP2.84
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate (CID 2155773) is ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1.
What is the InChIKey of ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate?
The InChIKey is XQMOSEAOGXDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S2/c1-2-23-15(22)20-7-5-19(6-8-20)12(21)9-25-14-18-17-13(24-14)10-3-4-11(16)26-10/h3-4H,2,5-9H2,1H3.
What are the key properties of ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate has a molecular weight of 416.91 g/mol, XLogP of 2.84, 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-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2155773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).