2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride

C21H24Cl2N3O3S- — CID 53351247

About 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride

2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride (PubChem CID 53351247) has the molecular formula C21H24Cl2N3O3S- and a molecular weight of 469.41 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride
• PubChem CID: 53351247
• Molecular Formula: C21H24Cl2N3O3S-
• Molecular Weight: 469.41 g/mol
• Exact Mass: 468.09
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride
• SMILES: COc1cccc2sc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)nc12.[Cl-]
• InChI: InChI=1S/C21H24ClN3O3S.ClH/c1-24(2)12-5-13-25(19(26)14-28-16-10-8-15(22)9-11-16)21-23-20-17(27-3)6-4-7-18(20)29-21;/h4,6-11H,5,12-14H2,1-3H3;1H/p-1
• InChIKey: APXUFINKESNJHN-UHFFFAOYSA-M
• XLogP: 1.33
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.41
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride?

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride (CID 53351247) is 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride is COc1cccc2sc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)nc12.[Cl-].

What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride?

The InChIKey is APXUFINKESNJHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24ClN3O3S.ClH/c1-24(2)12-5-13-25(19(26)14-28-16-10-8-15(22)9-11-16)21-23-20-17(27-3)6-4-7-18(20)29-21;/h4,6-11H,5,12-14H2,1-3H3;1H/p-1.

What are the key properties of 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride?

2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride has a molecular weight of 469.41 g/mol, XLogP of 1.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide chloride is sourced from PubChem (CID 53351247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).