4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C21H23ClFN3O2S — CID 16808644

About 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride

4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 16808644) has the molecular formula C21H23ClFN3O2S and a molecular weight of 435.95 g/mol. Its IUPAC name is 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 16808644
• Molecular Formula: C21H23ClFN3O2S
• Molecular Weight: 435.95 g/mol
• Exact Mass: 435.12
• IUPAC Name: 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1.Cl
• InChI: InChI=1S/C21H22FN3O2S.ClH/c1-14(26)15-5-7-16(8-6-15)20(27)25(12-4-11-24(2)3)21-23-18-10-9-17(22)13-19(18)28-21;/h5-10,13H,4,11-12H2,1-3H3;1H
• InChIKey: KMVZXJIBLRYRTK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 53.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.95
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 16808644) is 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1.Cl.

What is the InChIKey of 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is KMVZXJIBLRYRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S.ClH/c1-14(26)15-5-7-16(8-6-15)20(27)25(12-4-11-24(2)3)21-23-18-10-9-17(22)13-19(18)28-21;/h5-10,13H,4,11-12H2,1-3H3;1H.

What are the key properties of 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 435.95 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 16808644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).