2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole

C37H28N6O2S2 — CID 141343406

About 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole

2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole (PubChem CID 141343406) has the molecular formula C37H28N6O2S2 and a molecular weight of 652.81 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole
• PubChem CID: 141343406
• Molecular Formula: C37H28N6O2S2
• Molecular Weight: 652.81 g/mol
• Exact Mass: 652.17
• IUPAC Name: 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole
• SMILES: c1ccc(C2(c3ccc[nH]3)OC(c3ccccc3)(c3ncc[nH]3)C(c3ccc[nH]3)(c3nccs3)C2(c2ccsn2)c2ccco2)cc1
• InChI: InChI=1S/C37H28N6O2S2/c1-3-10-26(11-4-1)36(30-15-8-19-39-30)34(29-17-24-47-43-29,31-16-9-23-44-31)35(28-14-7-18-38-28,33-42-22-25-46-33)37(45-36,32-40-20-21-41-32)27-12-5-2-6-13-27/h1-25,38-39H,(H,40,41)
• InChIKey: QGETUXCWCXYGFB-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 108.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.81
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole?

The IUPAC name of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole (CID 141343406) is 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole is c1ccc(C2(c3ccc[nH]3)OC(c3ccccc3)(c3ncc[nH]3)C(c3ccc[nH]3)(c3nccs3)C2(c2ccsn2)c2ccco2)cc1.

What is the InChIKey of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole?

The InChIKey is QGETUXCWCXYGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N6O2S2/c1-3-10-26(11-4-1)36(30-15-8-19-39-30)34(29-17-24-47-43-29,31-16-9-23-44-31)35(28-14-7-18-38-28,33-42-22-25-46-33)37(45-36,32-40-20-21-41-32)27-12-5-2-6-13-27/h1-25,38-39H,(H,40,41).

What are the key properties of 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole?

2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole has a molecular weight of 652.81 g/mol, XLogP of 7.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2,5-diphenyl-3,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)oxolan-3-yl]-1,3-thiazole is sourced from PubChem (CID 141343406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).