N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O3S — CID 16848575

About N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 16848575) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 16848575
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(OC)c(C)c3)nc2c1
• InChI: InChI=1S/C24H23N3O3S/c1-16-12-17(7-9-21(16)30-3)13-23(28)27(15-18-6-4-5-11-25-18)24-26-20-14-19(29-2)8-10-22(20)31-24/h4-12,14H,13,15H2,1-3H3
• InChIKey: VXKYTOYSABNASZ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 16848575) is N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

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

The canonical SMILES for N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(OC)c(C)c3)nc2c1.

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

The InChIKey is VXKYTOYSABNASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-12-17(7-9-21(16)30-3)13-23(28)27(15-18-6-4-5-11-25-18)24-26-20-14-19(29-2)8-10-22(20)31-24/h4-12,14H,13,15H2,1-3H3.

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

N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 16848575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).