2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole

C39H24N4O2S3 — CID 141121032

About 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole

2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole (PubChem CID 141121032) has the molecular formula C39H24N4O2S3 and a molecular weight of 676.85 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole
• PubChem CID: 141121032
• Molecular Formula: C39H24N4O2S3
• Molecular Weight: 676.85 g/mol
• Exact Mass: 676.11
• IUPAC Name: 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole
• SMILES: c1coc(C2=C(c3cccs3)N(c3cc4ccccc4o3)C(c3cc4ccccc4s3)(c3nccs3)N=C2c2cc3ccccc3[nH]2)c1
• InChI: InChI=1S/C39H24N4O2S3/c1-4-12-27-24(9-1)21-28(41-27)36-35(30-14-7-18-44-30)37(32-16-8-19-46-32)43(34-23-25-10-2-5-13-29(25)45-34)39(42-36,38-40-17-20-47-38)33-22-26-11-3-6-15-31(26)48-33/h1-23,41H
• InChIKey: OZVMCMNSANAINB-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 70.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.85
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole?

The IUPAC name of 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole (CID 141121032) is 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole.

What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole?

The canonical SMILES for 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole is c1coc(C2=C(c3cccs3)N(c3cc4ccccc4o3)C(c3cc4ccccc4s3)(c3nccs3)N=C2c2cc3ccccc3[nH]2)c1.

What is the InChIKey of 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole?

The InChIKey is OZVMCMNSANAINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2S3/c1-4-12-27-24(9-1)21-28(41-27)36-35(30-14-7-18-44-30)37(32-16-8-19-46-32)43(34-23-25-10-2-5-13-29(25)45-34)39(42-36,38-40-17-20-47-38)33-22-26-11-3-6-15-31(26)48-33/h1-23,41H.

What are the key properties of 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole?

2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole has a molecular weight of 676.85 g/mol, XLogP of 11.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 141121032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).