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

C25H22N4OS — CID 140765089

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

4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole (PubChem CID 140765089) has the molecular formula C25H22N4OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
• PubChem CID: 140765089
• Molecular Formula: C25H22N4OS
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.15
• IUPAC Name: 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
• SMILES: Cc1nc(-c2cccc(Oc3cccc(N4C=CN(C)C4)c3)c2)sc1-c1cccnc1
• InChI: InChI=1S/C25H22N4OS/c1-18-24(20-7-5-11-26-16-20)31-25(27-18)19-6-3-9-22(14-19)30-23-10-4-8-21(15-23)29-13-12-28(2)17-29/h3-16H,17H2,1-2H3
• InChIKey: RONARQLFRJBFHL-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 41.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole (CID 140765089) is 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole.

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

The canonical SMILES for 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccc(Oc3cccc(N4C=CN(C)C4)c3)c2)sc1-c1cccnc1.

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

The InChIKey is RONARQLFRJBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS/c1-18-24(20-7-5-11-26-16-20)31-25(27-18)19-6-3-9-22(14-19)30-23-10-4-8-21(15-23)29-13-12-28(2)17-29/h3-16H,17H2,1-2H3.

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

4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 426.55 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 140765089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).