2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride

C18H20Cl3N3O2S2 — CID 18563734

About 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride (PubChem CID 18563734) has the molecular formula C18H20Cl3N3O2S2 and a molecular weight of 480.87 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
• PubChem CID: 18563734
• Molecular Formula: C18H20Cl3N3O2S2
• Molecular Weight: 480.87 g/mol
• Exact Mass: 479.01
• IUPAC Name: 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
• SMILES: CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1.Cl
• InChI: InChI=1S/C18H19Cl2N3O2S2.ClH/c1-4-25-11-5-6-13-14(9-11)26-18(21-13)23(8-7-22(2)3)17(24)12-10-15(19)27-16(12)20;/h5-6,9-10H,4,7-8H2,1-3H3;1H
• InChIKey: SYHHLFUXWKNLDK-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.87
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride (CID 18563734) is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride.

What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The canonical SMILES for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride is CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1.Cl.

What is the InChIKey of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The InChIKey is SYHHLFUXWKNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S2.ClH/c1-4-25-11-5-6-13-14(9-11)26-18(21-13)23(8-7-22(2)3)17(24)12-10-15(19)27-16(12)20;/h5-6,9-10H,4,7-8H2,1-3H3;1H.

What are the key properties of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 480.87 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 18563734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).