2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C21H27Cl2N3OS2 — CID 44919461

About 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44919461) has the molecular formula C21H27Cl2N3OS2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44919461
• Molecular Formula: C21H27Cl2N3OS2
• Molecular Weight: 472.51 g/mol
• Exact Mass: 471.10
• IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCc1ccc2nc(N(CCN(CC)CC)C(=O)Cc3ccc(Cl)s3)sc2c1.Cl
• InChI: InChI=1S/C21H26ClN3OS2.ClH/c1-4-15-7-9-17-18(13-15)28-21(23-17)25(12-11-24(5-2)6-3)20(26)14-16-8-10-19(22)27-16;/h7-10,13H,4-6,11-12,14H2,1-3H3;1H
• InChIKey: WLXRRKDOUKDEBK-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44919461) is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

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

The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CCc1ccc2nc(N(CCN(CC)CC)C(=O)Cc3ccc(Cl)s3)sc2c1.Cl.

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

The InChIKey is WLXRRKDOUKDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3OS2.ClH/c1-4-15-7-9-17-18(13-15)28-21(23-17)25(12-11-24(5-2)6-3)20(26)14-16-8-10-19(22)27-16;/h7-10,13H,4-6,11-12,14H2,1-3H3;1H.

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

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 472.51 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44919461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).