2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole

C37H23N7O3S2 — CID 141212886

About 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole

2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole (PubChem CID 141212886) has the molecular formula C37H23N7O3S2 and a molecular weight of 677.77 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole
• PubChem CID: 141212886
• Molecular Formula: C37H23N7O3S2
• Molecular Weight: 677.77 g/mol
• Exact Mass: 677.13
• IUPAC Name: 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole
• SMILES: c1ccc(-c2c(-c3ccco3)c(-c3ccc[nH]3)c3c(c2-c2ncc[nH]2)S(c2ncco2)(c2nccs2)C(c2cc4ccccc4o2)=N3)nc1
• InChI: InChI=1S/C37H23N7O3S2/c1-2-10-25-22(7-1)21-27(47-25)35-44-32-29(24-9-5-13-39-24)30(26-11-6-18-45-26)28(23-8-3-4-12-38-23)31(34-40-14-15-41-34)33(32)49(35,36-42-16-19-46-36)37-43-17-20-48-37/h1-21,39H,(H,40,41)
• InChIKey: URIIGHAXUVMMNY-UHFFFAOYSA-N
• XLogP: 9.96
• TPSA: 134.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.77
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole?

The IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole (CID 141212886) is 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole.

What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole?

The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole is c1ccc(-c2c(-c3ccco3)c(-c3ccc[nH]3)c3c(c2-c2ncc[nH]2)S(c2ncco2)(c2nccs2)C(c2cc4ccccc4o2)=N3)nc1.

What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole?

The InChIKey is URIIGHAXUVMMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7O3S2/c1-2-10-25-22(7-1)21-27(47-25)35-44-32-29(24-9-5-13-39-24)30(26-11-6-18-45-26)28(23-8-3-4-12-38-23)31(34-40-14-15-41-34)33(32)49(35,36-42-16-19-46-36)37-43-17-20-48-37/h1-21,39H,(H,40,41).

What are the key properties of 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole?

2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole has a molecular weight of 677.77 g/mol, XLogP of 9.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141212886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).