3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole

C70H48ClN13O13S6 — CID 130378861

About 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole

3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 130378861) has the molecular formula C70H48ClN13O13S6 and a molecular weight of 1507.09 g/mol. Its IUPAC name is 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
• PubChem CID: 130378861
• Molecular Formula: C70H48ClN13O13S6
• Molecular Weight: 1507.09 g/mol
• Exact Mass: 1505.15
• IUPAC Name: 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
• SMILES: COc1cc(OCc2csc(-c3cccc(-c4c(OC)cc(OC(c5csc(-c6cc(C)on6)n5)c5c(Cl)cc(OCc6csc(-c7ccccc7)n6)c6cc(-c7cn8nc(OC)sc8n7)oc56)c5cc(-c6cn7nc(OC)sc7n6)oc45)c3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C70H48ClN13O13S6/c1-32-16-43(81-97-32)64-74-47(31-100-64)61(57-42(71)22-49(92-27-34-29-98-62(72-34)33-12-9-8-10-13-33)40-20-53(96-60(40)57)45-25-83-66(76-45)102-69(79-83)89-6)94-51-23-55(86-3)56(59-41(51)21-54(95-59)46-26-84-67(77-46)103-70(80-84)90-7)37-14-11-15-38(58(37)87-4)63-73-35(30-99-63)28-91-48-17-36(85-2)18-50-39(48)19-52(93-50)44-24-82-65(75-44)101-68(78-82)88-5/h8-26,29-31,61H,27-28H2,1-7H3
• InChIKey: ZDUBTQYSEWNUPP-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 277.76 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.09
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?

The IUPAC name of 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (CID 130378861) is 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.

What is the SMILES notation for 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?

The canonical SMILES for 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is COc1cc(OCc2csc(-c3cccc(-c4c(OC)cc(OC(c5csc(-c6cc(C)on6)n5)c5c(Cl)cc(OCc6csc(-c7ccccc7)n6)c6cc(-c7cn8nc(OC)sc8n7)oc56)c5cc(-c6cn7nc(OC)sc7n6)oc45)c3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?

The InChIKey is ZDUBTQYSEWNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48ClN13O13S6/c1-32-16-43(81-97-32)64-74-47(31-100-64)61(57-42(71)22-49(92-27-34-29-98-62(72-34)33-12-9-8-10-13-33)40-20-53(96-60(40)57)45-25-83-66(76-45)102-69(79-83)89-6)94-51-23-55(86-3)56(59-41(51)21-54(95-59)46-26-84-67(77-46)103-70(80-84)90-7)37-14-11-15-38(58(37)87-4)63-73-35(30-99-63)28-91-48-17-36(85-2)18-50-39(48)19-52(93-50)44-24-82-65(75-44)101-68(78-82)88-5/h8-26,29-31,61H,27-28H2,1-7H3.

What are the key properties of 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?

3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 1507.09 g/mol, XLogP of 17.60, 23 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[6-chloro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-7-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-[2-methoxy-3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-1-benzofuran-4-yl]oxy]methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 130378861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).