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

C20H25Cl2N3OS2 — CID 44919462

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

2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44919462) has the molecular formula C20H25Cl2N3OS2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44919462
• Molecular Formula: C20H25Cl2N3OS2
• Molecular Weight: 458.48 g/mol
• Exact Mass: 457.08
• IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCc1ccc2nc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)sc2c1.Cl
• InChI: InChI=1S/C20H24ClN3OS2.ClH/c1-4-14-6-8-16-17(12-14)27-20(22-16)24(11-5-10-23(2)3)19(25)13-15-7-9-18(21)26-15;/h6-9,12H,4-5,10-11,13H2,1-3H3;1H
• InChIKey: FNVSBYYCJNEAKP-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.48
LogP ≤ 5	5.52
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-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44919462) is 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

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

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

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

The InChIKey is FNVSBYYCJNEAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS2.ClH/c1-4-14-6-8-16-17(12-14)27-20(22-16)24(11-5-10-23(2)3)19(25)13-15-7-9-18(21)26-15;/h6-9,12H,4-5,10-11,13H2,1-3H3;1H.

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

2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 458.48 g/mol, XLogP of 5.52, 8 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-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44919462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).