2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C21H25Cl2N3OS2 — CID 44931750

About 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44931750) has the molecular formula C21H25Cl2N3OS2 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44931750
• Molecular Formula: C21H25Cl2N3OS2
• Molecular Weight: 470.49 g/mol
• Exact Mass: 469.08
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: Cc1cccc2sc(N(CCCN(C)C)C(=O)CSc3ccc(Cl)cc3)nc12.Cl
• InChI: InChI=1S/C21H24ClN3OS2.ClH/c1-15-6-4-7-18-20(15)23-21(28-18)25(13-5-12-24(2)3)19(26)14-27-17-10-8-16(22)9-11-17;/h4,6-11H,5,12-14H2,1-3H3;1H
• InChIKey: QUOZNWMDYWKSFT-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44931750) is 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

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

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is Cc1cccc2sc(N(CCCN(C)C)C(=O)CSc3ccc(Cl)cc3)nc12.Cl.

What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The InChIKey is QUOZNWMDYWKSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3OS2.ClH/c1-15-6-4-7-18-20(15)23-21(28-18)25(13-5-12-24(2)3)19(26)14-27-17-10-8-16(22)9-11-17;/h4,6-11H,5,12-14H2,1-3H3;1H.

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

2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 470.49 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44931750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).