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

C20H25Cl2N3O2S2 — CID 44925225

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

5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 44925225) has the molecular formula C20H25Cl2N3O2S2 and a molecular weight of 474.48 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
• PubChem CID: 44925225
• Molecular Formula: C20H25Cl2N3O2S2
• Molecular Weight: 474.48 g/mol
• Exact Mass: 473.08
• IUPAC Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
• SMILES: CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(Cl)s3)sc2c1.Cl
• InChI: InChI=1S/C20H24ClN3O2S2.ClH/c1-4-23(5-2)11-12-24(19(25)16-9-10-18(21)27-16)20-22-15-8-7-14(26-6-3)13-17(15)28-20;/h7-10,13H,4-6,11-12H2,1-3H3;1H
• InChIKey: LZGRFLIMNMIIAJ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (CID 44925225) is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

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

The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(Cl)s3)sc2c1.Cl.

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

The InChIKey is LZGRFLIMNMIIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S2.ClH/c1-4-23(5-2)11-12-24(19(25)16-9-10-18(21)27-16)20-22-15-8-7-14(26-6-3)13-17(15)28-20;/h7-10,13H,4-6,11-12H2,1-3H3;1H.

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

5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 474.48 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44925225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).