3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H18N6O2S2 — CID 112840492

IUPAC3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1csc(-c2noc(CN3CCN(Cc4noc(-c5ccsc5)n4)CC3)n2)c1
InChIInChI=1S/C18H18N6O2S2/c1-2-14(28-8-1)17-20-16(25-22-17)11-24-6-4-23(5-7-24)10-15-19-18(26-21-15)13-3-9-27-12-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyQFSLUNSXFIXYMA-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.23
Rot. Bonds6

About 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 112840492) has the molecular formula C18H18N6O2S2 and a molecular weight of 414.52 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID112840492
Molecular FormulaC18H18N6O2S2
Molecular Weight414.52 g/mol
Exact Mass414.09
IUPAC Name3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1csc(-c2noc(CN3CCN(Cc4noc(-c5ccsc5)n4)CC3)n2)c1
InChIInChI=1S/C18H18N6O2S2/c1-2-14(28-8-1)17-20-16(25-22-17)11-24-6-4-23(5-7-24)10-15-19-18(26-21-15)13-3-9-27-12-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyQFSLUNSXFIXYMA-UHFFFAOYSA-N
XLogP3.23
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112803330
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
N-ethyl-N-[4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71895768
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
(3S)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 29088707
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
7-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75430107

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 112840492) is 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1csc(-c2noc(CN3CCN(Cc4noc(-c5ccsc5)n4)CC3)n2)c1.
What is the InChIKey of 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QFSLUNSXFIXYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S2/c1-2-14(28-8-1)17-20-16(25-22-17)11-24-6-4-23(5-7-24)10-15-19-18(26-21-15)13-3-9-27-12-13/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 414.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[[4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112840492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).