N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C27H19FN4O3S — CID 55554893

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 55554893) has the molecular formula C27H19FN4O3S and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
• PubChem CID: 55554893
• Molecular Formula: C27H19FN4O3S
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.12
• IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
• SMILES: CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)n2)cc1
• InChI: InChI=1S/C27H19FN4O3S/c1-16(33)30-18-12-10-17(11-13-18)23-15-36-27(31-23)32-25(34)19-6-2-3-7-20(19)26-29-14-24(35-26)21-8-4-5-9-22(21)28/h2-15H,1H3,(H,30,33)(H,31,32,34)
• InChIKey: HNDWGRSKSFSSBS-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 55554893) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)n2)cc1.

What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The InChIKey is HNDWGRSKSFSSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O3S/c1-16(33)30-18-12-10-17(11-13-18)23-15-36-27(31-23)32-25(34)19-6-2-3-7-20(19)26-29-14-24(35-26)21-8-4-5-9-22(21)28/h2-15H,1H3,(H,30,33)(H,31,32,34).

What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 498.54 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 55554893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).