N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide

C59H48N10O10S4 — CID 130179668

About N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide

N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 130179668) has the molecular formula C59H48N10O10S4 and a molecular weight of 1185.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 130179668
• Molecular Formula: C59H48N10O10S4
• Molecular Weight: 1185.36 g/mol
• Exact Mass: 1184.24
• IUPAC Name: N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: COc1cc(OC(c2csc(-c3ccc(C(=O)N(C4CC4)C4CC4)cc3)n2)c2c(OC)cc(OCc3csc(-c4ccc(C(=O)NC5CC5)cc4)n3)c3cc(-c4cn5nc(OC)sc5n4)oc23)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C59H48N10O10S4/c1-72-37-19-44-38(21-46(77-44)40-24-67-56(63-40)82-58(65-67)74-3)45(20-37)78-51(42-28-81-54(62-42)31-9-11-32(12-10-31)55(71)69(35-15-16-35)36-17-18-36)49-48(73-2)23-43(39-22-47(79-50(39)49)41-25-68-57(64-41)83-59(66-68)75-4)76-26-34-27-80-53(61-34)30-7-5-29(6-8-30)52(70)60-33-13-14-33/h5-12,19-25,27-28,33,35-36,51H,13-18,26H2,1-4H3,(H,60,70)
• InChIKey: FZTDJADOPAUFSM-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 217.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.36
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide (CID 130179668) is N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide is COc1cc(OC(c2csc(-c3ccc(C(=O)N(C4CC4)C4CC4)cc3)n2)c2c(OC)cc(OCc3csc(-c4ccc(C(=O)NC5CC5)cc4)n3)c3cc(-c4cn5nc(OC)sc5n4)oc23)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

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

The InChIKey is FZTDJADOPAUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N10O10S4/c1-72-37-19-44-38(21-46(77-44)40-24-67-56(63-40)82-58(65-67)74-3)45(20-37)78-51(42-28-81-54(62-42)31-9-11-32(12-10-31)55(71)69(35-15-16-35)36-17-18-36)49-48(73-2)23-43(39-22-47(79-50(39)49)41-25-68-57(64-41)83-59(66-68)75-4)76-26-34-27-80-53(61-34)30-7-5-29(6-8-30)52(70)60-33-13-14-33/h5-12,19-25,27-28,33,35-36,51H,13-18,26H2,1-4H3,(H,60,70).

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

N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 1185.36 g/mol, XLogP of 12.41, 20 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 130179668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).