5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C19H23FN4O3S — CID 60570943

About 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 60570943) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
• PubChem CID: 60570943
• Molecular Formula: C19H23FN4O3S
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.15
• IUPAC Name: 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
• SMILES: CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)c1
• InChI: InChI=1S/C19H23FN4O3S/c1-11-7-24(8-12(2)27-11)9-15-10-28-19(22-15)23-18(26)16-6-14(21-13(3)25)4-5-17(16)20/h4-6,10-12H,7-9H2,1-3H3,(H,21,25)(H,22,23,26)
• InChIKey: HMXDBIXOPPZBOJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The IUPAC name of 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 60570943) is 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

What is the SMILES notation for 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The canonical SMILES for 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(CN3CC(C)OC(C)C3)cs2)c1.

What is the InChIKey of 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

The InChIKey is HMXDBIXOPPZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-11-7-24(8-12(2)27-11)9-15-10-28-19(22-15)23-18(26)16-6-14(21-13(3)25)4-5-17(16)20/h4-6,10-12H,7-9H2,1-3H3,(H,21,25)(H,22,23,26).

What are the key properties of 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?

5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 60570943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).