5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C20H18FN3O3S — CID 60564511

About 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 60564511) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
• PubChem CID: 60564511
• Molecular Formula: C20H18FN3O3S
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.11
• IUPAC Name: 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(-c2nc(NC(=O)c3cc(NC(C)=O)ccc3F)sc2C)cc1
• InChI: InChI=1S/C20H18FN3O3S/c1-11-18(13-4-7-15(27-3)8-5-13)23-20(28-11)24-19(26)16-10-14(22-12(2)25)6-9-17(16)21/h4-10H,1-3H3,(H,22,25)(H,23,24,26)
• InChIKey: HVRXHQUDJCKBQJ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 60564511) is 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3cc(NC(C)=O)ccc3F)sc2C)cc1.

What is the InChIKey of 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The InChIKey is HVRXHQUDJCKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-11-18(13-4-7-15(27-3)8-5-13)23-20(28-11)24-19(26)16-10-14(22-12(2)25)6-9-17(16)21/h4-10H,1-3H3,(H,22,25)(H,23,24,26).

What are the key properties of 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60564511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).