N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C23H28N3O3S+ — CID 7622408

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7622408) has the molecular formula C23H28N3O3S+ and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
• PubChem CID: 7622408
• Molecular Formula: C23H28N3O3S+
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
• SMILES: CCOc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3cccc(C)c3)nc12
• InChI: InChI=1S/C23H27N3O3S/c1-3-29-19-8-5-9-20-21(19)24-23(30-20)26(11-10-25-12-14-28-15-13-25)22(27)18-7-4-6-17(2)16-18/h4-9,16H,3,10-15H2,1-2H3/p+1
• InChIKey: GIUZFCOCWWJLPG-UHFFFAOYSA-O
• XLogP: 2.57
• TPSA: 56.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7622408) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

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

The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is CCOc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3cccc(C)c3)nc12.

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

The InChIKey is GIUZFCOCWWJLPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O3S/c1-3-29-19-8-5-9-20-21(19)24-23(30-20)26(11-10-25-12-14-28-15-13-25)22(27)18-7-4-6-17(2)16-18/h4-9,16H,3,10-15H2,1-2H3/p+1.

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

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).