2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C24H18F2N2O3S — CID 83285345

About 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 83285345) has the molecular formula C24H18F2N2O3S and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 83285345
• Molecular Formula: C24H18F2N2O3S
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.10
• IUPAC Name: 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cccc(F)c4)cc3F)n2)cc1
• InChI: InChI=1S/C24H18F2N2O3S/c1-30-18-7-5-17(6-8-18)27-23(29)22-14-32-24(28-22)20-10-9-19(12-21(20)26)31-13-15-3-2-4-16(25)11-15/h2-12,14H,13H2,1H3,(H,27,29)
• InChIKey: MFTPDENFTMGENJ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 83285345) is 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccc(OCc4cccc(F)c4)cc3F)n2)cc1.

What is the InChIKey of 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is MFTPDENFTMGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3S/c1-30-18-7-5-17(6-8-18)27-23(29)22-14-32-24(28-22)20-10-9-19(12-21(20)26)31-13-15-3-2-4-16(25)11-15/h2-12,14H,13H2,1H3,(H,27,29).

What are the key properties of 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83285345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).