4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H24ClN3O2S — CID 7511225

About 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7511225) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 7511225
• Molecular Formula: C21H24ClN3O2S
• Molecular Weight: 417.96 g/mol
• Exact Mass: 417.13
• IUPAC Name: 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(OC)cc2s1
• InChI: InChI=1S/C21H24ClN3O2S/c1-4-24(5-2)12-13-25(20(26)15-6-8-16(22)9-7-15)21-23-18-11-10-17(27-3)14-19(18)28-21/h6-11,14H,4-5,12-13H2,1-3H3
• InChIKey: KSPWBFHTZSYGCJ-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.96
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7511225) is 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(OC)cc2s1.

What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is KSPWBFHTZSYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c1-4-24(5-2)12-13-25(20(26)15-6-8-16(22)9-7-15)21-23-18-11-10-17(27-3)14-19(18)28-21/h6-11,14H,4-5,12-13H2,1-3H3.

What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 417.96 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7511225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).