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 Donors | |
|---|
| 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 |
Analyze 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 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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).