N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide

C26H33N3O3S — CID 30715487

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 30715487) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
• PubChem CID: 30715487
• Molecular Formula: C26H33N3O3S
• Molecular Weight: 467.64 g/mol
• Exact Mass: 467.22
• IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
• SMILES: CCOc1ccc(CC(=O)N(CCCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)cc1
• InChI: InChI=1S/C26H33N3O3S/c1-4-32-22-9-7-21(8-10-22)18-24(30)29(13-5-12-28-14-16-31-17-15-28)26-27-25-20(3)19(2)6-11-23(25)33-26/h6-11H,4-5,12-18H2,1-3H3
• InChIKey: NDAZCKUBGLASQJ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.64
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide?

The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 30715487) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide is CCOc1ccc(CC(=O)N(CCCN2CCOCC2)c2nc3c(C)c(C)ccc3s2)cc1.

What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide?

The InChIKey is NDAZCKUBGLASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-4-32-22-9-7-21(8-10-22)18-24(30)29(13-5-12-28-14-16-31-17-15-28)26-27-25-20(3)19(2)6-11-23(25)33-26/h6-11H,4-5,12-18H2,1-3H3.

What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide?

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 467.64 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).