N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide

C23H28FN3O2S — CID 43964547

About N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 43964547) has the molecular formula C23H28FN3O2S and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
• PubChem CID: 43964547
• Molecular Formula: C23H28FN3O2S
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.19
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
• SMILES: CC(C)c1ccc(OCC(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1
• InChI: InChI=1S/C23H28FN3O2S/c1-16(2)17-9-11-18(12-10-17)29-15-21(28)27(14-6-13-26(3)4)23-25-22-19(24)7-5-8-20(22)30-23/h5,7-12,16H,6,13-15H2,1-4H3
• InChIKey: WWLUJCXZCIABQS-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 43964547) is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?

The InChIKey is WWLUJCXZCIABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2S/c1-16(2)17-9-11-18(12-10-17)29-15-21(28)27(14-6-13-26(3)4)23-25-22-19(24)7-5-8-20(22)30-23/h5,7-12,16H,6,13-15H2,1-4H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 429.56 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 43964547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).