2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C24H16F4N2O2S — CID 46067111

About 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46067111) has the molecular formula C24H16F4N2O2S and a molecular weight of 472.46 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46067111
• Molecular Formula: C24H16F4N2O2S
• Molecular Weight: 472.46 g/mol
• Exact Mass: 472.09
• IUPAC Name: 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1
• InChI: InChI=1S/C24H16F4N2O2S/c25-16-3-1-14(2-4-16)11-29-23(31)22-13-33-24(30-22)19-7-6-18(10-21(19)28)32-12-15-9-17(26)5-8-20(15)27/h1-10,13H,11-12H2,(H,29,31)
• InChIKey: ULRKNWXEPGIGJH-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.46
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46067111) is 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1.

What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ULRKNWXEPGIGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O2S/c25-16-3-1-14(2-4-16)11-29-23(31)22-13-33-24(30-22)19-7-6-18(10-21(19)28)32-12-15-9-17(26)5-8-20(15)27/h1-10,13H,11-12H2,(H,29,31).

What are the key properties of 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?

2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 472.46 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).