5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole

C34H26F2N2OS2 — CID 130321650

About 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole

5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole (PubChem CID 130321650) has the molecular formula C34H26F2N2OS2 and a molecular weight of 580.73 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole
• PubChem CID: 130321650
• Molecular Formula: C34H26F2N2OS2
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.15
• IUPAC Name: 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole
• SMILES: Cc1cc(COc2ccccc2-c2nc(C)c(-c3ccc(F)cc3)s2)cc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1
• InChI: InChI=1S/C34H26F2N2OS2/c1-20-16-23(18-26(17-20)33-37-21(2)31(40-33)24-8-12-27(35)13-9-24)19-39-30-7-5-4-6-29(30)34-38-22(3)32(41-34)25-10-14-28(36)15-11-25/h4-18H,19H2,1-3H3
• InChIKey: DBWNBRPZFKEWMQ-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 35.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole?

The IUPAC name of 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole (CID 130321650) is 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole.

What is the SMILES notation for 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole?

The canonical SMILES for 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole is Cc1cc(COc2ccccc2-c2nc(C)c(-c3ccc(F)cc3)s2)cc(-c2nc(C)c(-c3ccc(F)cc3)s2)c1.

What is the InChIKey of 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole?

The InChIKey is DBWNBRPZFKEWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F2N2OS2/c1-20-16-23(18-26(17-20)33-37-21(2)31(40-33)24-8-12-27(35)13-9-24)19-39-30-7-5-4-6-29(30)34-38-22(3)32(41-34)25-10-14-28(36)15-11-25/h4-18H,19H2,1-3H3.

What are the key properties of 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole?

5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole has a molecular weight of 580.73 g/mol, XLogP of 10.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-2-[2-[[3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-5-methylphenyl]methoxy]phenyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 130321650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).