N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

C26H33N3O3S — CID 43997268

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 43997268) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
• PubChem CID: 43997268
• Molecular Formula: C26H33N3O3S
• Molecular Weight: 467.64 g/mol
• Exact Mass: 467.22
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
• SMILES: Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)COc3ccc(C(C)C)cc3)nc2c1
• InChI: InChI=1S/C26H33N3O3S/c1-18(2)21-5-7-22(8-6-21)32-17-24(30)29(10-9-28-11-13-31-14-12-28)26-27-23-16-19(3)15-20(4)25(23)33-26/h5-8,15-16,18H,9-14,17H2,1-4H3
• InChIKey: DAFOZCDUDLRJTJ-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.64
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 43997268) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)COc3ccc(C(C)C)cc3)nc2c1.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?

The InChIKey is DAFOZCDUDLRJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-18(2)21-5-7-22(8-6-21)32-17-24(30)29(10-9-28-11-13-31-14-12-28)26-27-23-16-19(3)15-20(4)25(23)33-26/h5-8,15-16,18H,9-14,17H2,1-4H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 467.64 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 43997268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).