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

C21H25ClFN3O2S — CID 16799048

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

N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 16799048) has the molecular formula C21H25ClFN3O2S and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 16799048
• Molecular Formula: C21H25ClFN3O2S
• Molecular Weight: 437.97 g/mol
• Exact Mass: 437.13
• IUPAC Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1.Cl
• InChI: InChI=1S/C21H24FN3O2S.ClH/c1-4-27-17-9-6-15(7-10-17)20(26)25(13-5-12-24(2)3)21-23-18-11-8-16(22)14-19(18)28-21;/h6-11,14H,4-5,12-13H2,1-3H3;1H
• InChIKey: JNCHYAYGYALHHX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.97
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 16799048) is N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1.Cl.

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

The InChIKey is JNCHYAYGYALHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S.ClH/c1-4-27-17-9-6-15(7-10-17)20(26)25(13-5-12-24(2)3)21-23-18-11-8-16(22)14-19(18)28-21;/h6-11,14H,4-5,12-13H2,1-3H3;1H.

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

N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 437.97 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 16799048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).