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

C23H27N3O4S — CID 29137810

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

3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 29137810) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 29137810
• Molecular Formula: C23H27N3O4S
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.17
• IUPAC Name: 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3ccc(C)cc3s2)c1
• InChI: InChI=1S/C23H27N3O4S/c1-16-4-5-20-21(12-16)31-23(24-20)26(7-6-25-8-10-30-11-9-25)22(27)17-13-18(28-2)15-19(14-17)29-3/h4-5,12-15H,6-11H2,1-3H3
• InChIKey: QTXYGRJZPRKYTJ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 29137810) is 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.

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

The canonical SMILES for 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3ccc(C)cc3s2)c1.

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

The InChIKey is QTXYGRJZPRKYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-4-5-20-21(12-16)31-23(24-20)26(7-6-25-8-10-30-11-9-25)22(27)17-13-18(28-2)15-19(14-17)29-3/h4-5,12-15H,6-11H2,1-3H3.

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

3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 441.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 29137810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).