2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H20ClN3O2S — CID 41117564

About 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41117564) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41117564
• Molecular Formula: C23H20ClN3O2S
• Molecular Weight: 437.95 g/mol
• Exact Mass: 437.10
• IUPAC Name: 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1cc2nc(N(Cc3ccccn3)C(=O)COc3ccc(Cl)cc3)sc2cc1C
• InChI: InChI=1S/C23H20ClN3O2S/c1-15-11-20-21(12-16(15)2)30-23(26-20)27(13-18-5-3-4-10-25-18)22(28)14-29-19-8-6-17(24)7-9-19/h3-12H,13-14H2,1-2H3
• InChIKey: JGMQJMONHZUAOV-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.95
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 41117564) is 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc2nc(N(Cc3ccccn3)C(=O)COc3ccc(Cl)cc3)sc2cc1C.

What is the InChIKey of 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is JGMQJMONHZUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-15-11-20-21(12-16(15)2)30-23(26-20)27(13-18-5-3-4-10-25-18)22(28)14-29-19-8-6-17(24)7-9-19/h3-12H,13-14H2,1-2H3.

What are the key properties of 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41117564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).