2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole

C98H52N20O4S6 — CID 161350240

About 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole

2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole (PubChem CID 161350240) has the molecular formula C98H52N20O4S6 and a molecular weight of 1766.03 g/mol. Its IUPAC name is 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole
• PubChem CID: 161350240
• Molecular Formula: C98H52N20O4S6
• Molecular Weight: 1766.03 g/mol
• Exact Mass: 1764.28
• IUPAC Name: 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole
• SMILES: c1ccc(-c2nc(-c3cccc4c3nc3sc5ccccc5n34)no2)cc1.c1ccc(-c2nnc(-c3cccc4c3sc3nc5ccccc5n34)o2)cc1.c1ccc2c(c1)nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7ccccc7n56)o4)cccc3n12.c1ccc2c(c1)sc1nc3c(-c4noc(-c5cccc6c5nc5sc7ccccc7n56)n4)cccc3n12
• InChI: InChI=1S/2C28H14N6OS2.2C21H12N4OS/c1-3-13-21-17(9-1)33-19-11-5-7-15(23(19)29-27(33)36-21)25-31-26(35-32-25)16-8-6-12-20-24(16)30-28-34(20)18-10-2-4-14-22(18)37-28;1-3-11-19-17(9-1)29-27-33(19)21-13-5-7-15(23(21)36-27)25-31-32-26(35-25)16-8-6-14-22-24(16)37-28-30-18-10-2-4-12-20(18)34(22)28;1-2-7-13(8-3-1)20-23-19(24-26-20)14-9-6-11-16-18(14)22-21-25(16)15-10-4-5-12-17(15)27-21;1-2-7-13(8-3-1)19-23-24-20(26-19)14-9-6-12-17-18(14)27-21-22-15-10-4-5-11-16(15)25(17)21/h2*1-14H;2*1-12H
• InChIKey: VNVKEWLIWIIGDP-UHFFFAOYSA-N
• XLogP: 25.71
• TPSA: 259.48 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.03
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?

The IUPAC name of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole (CID 161350240) is 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?

The canonical SMILES for 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3cccc4c3nc3sc5ccccc5n34)no2)cc1.c1ccc(-c2nnc(-c3cccc4c3sc3nc5ccccc5n34)o2)cc1.c1ccc2c(c1)nc1sc3c(-c4nnc(-c5cccc6c5sc5nc7ccccc7n56)o4)cccc3n12.c1ccc2c(c1)sc1nc3c(-c4noc(-c5cccc6c5nc5sc7ccccc7n56)n4)cccc3n12.

What is the InChIKey of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?

The InChIKey is VNVKEWLIWIIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H14N6OS2.2C21H12N4OS/c1-3-13-21-17(9-1)33-19-11-5-7-15(23(19)29-27(33)36-21)25-31-26(35-32-25)16-8-6-12-20-24(16)30-28-34(20)18-10-2-4-14-22(18)37-28;1-3-11-19-17(9-1)29-27-33(19)21-13-5-7-15(23(21)36-27)25-31-32-26(35-25)16-8-6-14-22-24(16)37-28-30-18-10-2-4-12-20(18)34(22)28;1-2-7-13(8-3-1)20-23-19(24-26-20)14-9-6-11-16-18(14)22-21-25(16)15-10-4-5-12-17(15)27-21;1-2-7-13(8-3-1)19-23-24-20(26-19)14-9-6-12-17-18(14)27-21-22-15-10-4-5-11-16(15)25(17)21/h2*1-14H;2*1-12H.

What are the key properties of 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole?

2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole has a molecular weight of 1766.03 g/mol, XLogP of 25.71, 8 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;3-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-5-phenyl-1,2,4-oxadiazole;2,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-1,3,4-oxadiazole;3,5-bis(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 161350240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).