N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

C24H29N3O3S — CID 43997452

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 43997452) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 43997452
• Molecular Formula: C24H29N3O3S
• Molecular Weight: 439.58 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(C)cc(C)c3)sc2c1
• InChI: InChI=1S/C24H29N3O3S/c1-4-30-20-5-6-21-22(16-20)31-24(25-21)27(8-7-26-9-11-29-12-10-26)23(28)19-14-17(2)13-18(3)15-19/h5-6,13-16H,4,7-12H2,1-3H3
• InChIKey: ZQYPMJWKBBSTEY-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.58
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (CID 43997452) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(C)cc(C)c3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is ZQYPMJWKBBSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-30-20-5-6-21-22(16-20)31-24(25-21)27(8-7-26-9-11-29-12-10-26)23(28)19-14-17(2)13-18(3)15-19/h5-6,13-16H,4,7-12H2,1-3H3.

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 43997452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).