N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C25H20FN3O4S — CID 55725770

About N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55725770) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 55725770
• Molecular Formula: C25H20FN3O4S
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.12
• IUPAC Name: N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(NC(=O)c4cccc(F)c4)c3)cs2)cc1
• InChI: InChI=1S/C25H20FN3O4S/c1-32-19-9-6-15(7-10-19)25-29-21(14-34-25)24(31)27-18-8-11-22(33-2)20(13-18)28-23(30)16-4-3-5-17(26)12-16/h3-14H,1-2H3,(H,27,31)(H,28,30)
• InChIKey: PDURPWZSGNTDCI-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 55725770) is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(NC(=O)c4cccc(F)c4)c3)cs2)cc1.

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

The InChIKey is PDURPWZSGNTDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c1-32-19-9-6-15(7-10-19)25-29-21(14-34-25)24(31)27-18-8-11-22(33-2)20(13-18)28-23(30)16-4-3-5-17(26)12-16/h3-14H,1-2H3,(H,27,31)(H,28,30).

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

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55725770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).