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

C24H17F3N2O3S — CID 46066250

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

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066250) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 46066250
• Molecular Formula: C24H17F3N2O3S
• Molecular Weight: 470.47 g/mol
• Exact Mass: 470.09
• IUPAC Name: 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)ccc1OCc1ccc(F)cc1F
• InChI: InChI=1S/C24H17F3N2O3S/c1-31-22-10-14(3-9-21(22)32-12-15-2-4-17(26)11-19(15)27)24-29-20(13-33-24)23(30)28-18-7-5-16(25)6-8-18/h2-11,13H,12H2,1H3,(H,28,30)
• InChIKey: IXRUXIIXRCVYFC-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.47
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 46066250) is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)ccc1OCc1ccc(F)cc1F.

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

The InChIKey is IXRUXIIXRCVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c1-31-22-10-14(3-9-21(22)32-12-15-2-4-17(26)11-19(15)27)24-29-20(13-33-24)23(30)28-18-7-5-16(25)6-8-18/h2-11,13H,12H2,1H3,(H,28,30).

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

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).