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

C23H30ClN3O3S — CID 44930385

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

N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44930385) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44930385
• Molecular Formula: C23H30ClN3O3S
• Molecular Weight: 464.03 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(OCC)cccc3s2)cc1.Cl
• InChI: InChI=1S/C23H29N3O3S.ClH/c1-5-28-18-13-11-17(12-14-18)22(27)26(16-8-15-25(3)4)23-24-21-19(29-6-2)9-7-10-20(21)30-23;/h7,9-14H,5-6,8,15-16H2,1-4H3;1H
• InChIKey: SSGWHKMNMLGNQF-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.03
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44930385) is N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(OCC)cccc3s2)cc1.Cl.

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

The InChIKey is SSGWHKMNMLGNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S.ClH/c1-5-28-18-13-11-17(12-14-18)22(27)26(16-8-15-25(3)4)23-24-21-19(29-6-2)9-7-10-20(21)30-23;/h7,9-14H,5-6,8,15-16H2,1-4H3;1H.

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

N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 464.03 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44930385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).