5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C24H22FN7OS — CID 55832680

IUPAC5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(c4nn5cc(-c6ccc(F)cc6)nc5s4)CC3)n2)cc1
InChIInChI=1S/C24H22FN7OS/c1-16-2-4-18(5-3-16)22-27-21(33-29-22)15-30-10-12-31(13-11-30)24-28-32-14-20(26-23(32)34-24)17-6-8-19(25)9-7-17/h2-9,14H,10-13,15H2,1H3
InChIKeyKQLSOWKRBCPZJX-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.28
Rot. Bonds5

About 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 55832680) has the molecular formula C24H22FN7OS and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID55832680
Molecular FormulaC24H22FN7OS
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(c4nn5cc(-c6ccc(F)cc6)nc5s4)CC3)n2)cc1
InChIInChI=1S/C24H22FN7OS/c1-16-2-4-18(5-3-16)22-27-21(33-29-22)15-30-10-12-31(13-11-30)24-28-32-14-20(26-23(32)34-24)17-6-8-19(25)9-7-17/h2-9,14H,10-13,15H2,1H3
InChIKeyKQLSOWKRBCPZJX-UHFFFAOYSA-N
XLogP4.28
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 55832680) is 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CCN(c4nn5cc(-c6ccc(F)cc6)nc5s4)CC3)n2)cc1.
What is the InChIKey of 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is KQLSOWKRBCPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7OS/c1-16-2-4-18(5-3-16)22-27-21(33-29-22)15-30-10-12-31(13-11-30)24-28-32-14-20(26-23(32)34-24)17-6-8-19(25)9-7-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 475.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55832680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).