N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide

C23H29N3O4S — CID 43964831

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide (PubChem CID 43964831) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide
• PubChem CID: 43964831
• Molecular Formula: C23H29N3O4S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.19
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide
• SMILES: COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)COc3cccc(C)c3)nc12
• InChI: InChI=1S/C23H29N3O4S/c1-16-8-6-9-17(14-16)30-15-20(27)26(13-7-12-25(2)3)23-24-21-18(28-4)10-11-19(29-5)22(21)31-23/h6,8-11,14H,7,12-13,15H2,1-5H3
• InChIKey: YNBHOXJGAYGZQQ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide (CID 43964831) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide is COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)COc3cccc(C)c3)nc12.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide?

The InChIKey is YNBHOXJGAYGZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-8-6-9-17(14-16)30-15-20(27)26(13-7-12-25(2)3)23-24-21-18(28-4)10-11-19(29-5)22(21)31-23/h6,8-11,14H,7,12-13,15H2,1-5H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 443.57 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 43964831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).