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

C34H25F3N2OS2 — CID 139441402

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

4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole (PubChem CID 139441402) has the molecular formula C34H25F3N2OS2 and a molecular weight of 598.72 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole
• PubChem CID: 139441402
• Molecular Formula: C34H25F3N2OS2
• Molecular Weight: 598.72 g/mol
• Exact Mass: 598.14
• IUPAC Name: 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole
• SMILES: COc1ccccc1-c1nc(C)c(-c2ccc(F)cc2Cc2nc(-c3ccc(C)cc3F)sc2-c2ccc(F)cc2)s1
• InChI: InChI=1S/C34H25F3N2OS2/c1-19-8-14-26(28(37)16-19)33-39-29(32(42-33)21-9-11-23(35)12-10-21)18-22-17-24(36)13-15-25(22)31-20(2)38-34(41-31)27-6-4-5-7-30(27)40-3/h4-17H,18H2,1-3H3
• InChIKey: FVGFIPMXRPYLPI-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 35.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.72
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole (CID 139441402) is 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole.

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

The canonical SMILES for 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole is COc1ccccc1-c1nc(C)c(-c2ccc(F)cc2Cc2nc(-c3ccc(C)cc3F)sc2-c2ccc(F)cc2)s1.

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

The InChIKey is FVGFIPMXRPYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F3N2OS2/c1-19-8-14-26(28(37)16-19)33-39-29(32(42-33)21-9-11-23(35)12-10-21)18-22-17-24(36)13-15-25(22)31-20(2)38-34(41-31)27-6-4-5-7-30(27)40-3/h4-17H,18H2,1-3H3.

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

4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 598.72 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-fluoro-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]phenyl]methyl]-2-(2-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 139441402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).