2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C23H29Cl2N3O4S — CID 44926558

About 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44926558) has the molecular formula C23H29Cl2N3O4S and a molecular weight of 514.48 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44926558
• Molecular Formula: C23H29Cl2N3O4S
• Molecular Weight: 514.48 g/mol
• Exact Mass: 513.13
• IUPAC Name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc(OC)c(OC)cc2s1.Cl
• InChI: InChI=1S/C23H28ClN3O4S.ClH/c1-5-26(6-2)11-12-27(22(28)15-31-17-9-7-16(24)8-10-17)23-25-18-13-19(29-3)20(30-4)14-21(18)32-23;/h7-10,13-14H,5-6,11-12,15H2,1-4H3;1H
• InChIKey: WBNPPENNGUZONS-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.48
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44926558) is 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc(OC)c(OC)cc2s1.Cl.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

The InChIKey is WBNPPENNGUZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S.ClH/c1-5-26(6-2)11-12-27(22(28)15-31-17-9-7-16(24)8-10-17)23-25-18-13-19(29-3)20(30-4)14-21(18)32-23;/h7-10,13-14H,5-6,11-12,15H2,1-4H3;1H.

What are the key properties of 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride?

2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 514.48 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44926558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).