2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole

C22H16N4OS — CID 91488740

About 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole

2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole (PubChem CID 91488740) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
• PubChem CID: 91488740
• Molecular Formula: C22H16N4OS
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.10
• IUPAC Name: 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
• SMILES: Cc1cnc(-c2c(-c3nccs3)ccc(-c3ccccn3)c2-c2ccco2)[nH]1
• InChI: InChI=1S/C22H16N4OS/c1-14-13-25-21(26-14)20-16(22-24-10-12-28-22)8-7-15(17-5-2-3-9-23-17)19(20)18-6-4-11-27-18/h2-13H,1H3,(H,25,26)
• InChIKey: IECPIVLRBQYGTQ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?

The IUPAC name of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole (CID 91488740) is 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole.

What is the SMILES notation for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?

The canonical SMILES for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole is Cc1cnc(-c2c(-c3nccs3)ccc(-c3ccccn3)c2-c2ccco2)[nH]1.

What is the InChIKey of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?

The InChIKey is IECPIVLRBQYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-14-13-25-21(26-14)20-16(22-24-10-12-28-22)8-7-15(17-5-2-3-9-23-17)19(20)18-6-4-11-27-18/h2-13H,1H3,(H,25,26).

What are the key properties of 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole?

2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole has a molecular weight of 384.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole is sourced from PubChem (CID 91488740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).