1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole

C22H17N5OS2 — CID 141327986

About 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole (PubChem CID 141327986) has the molecular formula C22H17N5OS2 and a molecular weight of 431.55 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
• PubChem CID: 141327986
• Molecular Formula: C22H17N5OS2
• Molecular Weight: 431.55 g/mol
• Exact Mass: 431.09
• IUPAC Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
• SMILES: c1c[nH]c(C2=NC(c3ncc[nH]3)=C(c3cccs3)S2(c2ccc[nH]2)c2ccco2)c1
• InChI: InChI=1S/C22H17N5OS2/c1-5-15(23-9-1)22-27-19(21-25-11-12-26-21)20(16-6-4-14-29-16)30(22,17-7-2-10-24-17)18-8-3-13-28-18/h1-14,23-24H,(H,25,26)
• InChIKey: YXLHPJLKBOAERM-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 85.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.55
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole?

The IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole (CID 141327986) is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole.

What is the SMILES notation for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole?

The canonical SMILES for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole is c1c[nH]c(C2=NC(c3ncc[nH]3)=C(c3cccs3)S2(c2ccc[nH]2)c2ccco2)c1.

What is the InChIKey of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole?

The InChIKey is YXLHPJLKBOAERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS2/c1-5-15(23-9-1)22-27-19(21-25-11-12-26-21)20(16-6-4-14-29-16)30(22,17-7-2-10-24-17)18-8-3-13-28-18/h1-14,23-24H,(H,25,26).

What are the key properties of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole?

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole has a molecular weight of 431.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 141327986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).