2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C21H25FN4OS — CID 24534439

IUPAC2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CN3CCN(Cc4ccccc4F)CC3)o2)cc1C
InChIInChI=1S/C21H25FN4OS/c1-3-18-15(2)12-19(28-18)21-24-23-20(27-21)14-26-10-8-25(9-11-26)13-16-6-4-5-7-17(16)22/h4-7,12H,3,8-11,13-14H2,1-2H3
InChIKeyFCDNZNUTBWXKFW-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.13
Rot. Bonds6

About 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 24534439) has the molecular formula C21H25FN4OS and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID24534439
Molecular FormulaC21H25FN4OS
Molecular Weight400.52 g/mol
Exact Mass400.17
IUPAC Name2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CN3CCN(Cc4ccccc4F)CC3)o2)cc1C
InChIInChI=1S/C21H25FN4OS/c1-3-18-15(2)12-19(28-18)21-24-23-20(27-21)14-26-10-8-25(9-11-26)13-16-6-4-5-7-17(16)22/h4-7,12H,3,8-11,13-14H2,1-2H3
InChIKeyFCDNZNUTBWXKFW-UHFFFAOYSA-N
XLogP4.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole 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 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 24534439) is 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is CCc1sc(-c2nnc(CN3CCN(Cc4ccccc4F)CC3)o2)cc1C.
What is the InChIKey of 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is FCDNZNUTBWXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4OS/c1-3-18-15(2)12-19(28-18)21-24-23-20(27-21)14-26-10-8-25(9-11-26)13-16-6-4-5-7-17(16)22/h4-7,12H,3,8-11,13-14H2,1-2H3.
What are the key properties of 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 400.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24534439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).