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

C23H29N3O3S — CID 43964522

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

N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 43964522) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
• PubChem CID: 43964522
• Molecular Formula: C23H29N3O3S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.19
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
• SMILES: COc1cccc(OCC(=O)N(CCCN(C)C)c2nc3c(C)ccc(C)c3s2)c1
• InChI: InChI=1S/C23H29N3O3S/c1-16-10-11-17(2)22-21(16)24-23(30-22)26(13-7-12-25(3)4)20(27)15-29-19-9-6-8-18(14-19)28-5/h6,8-11,14H,7,12-13,15H2,1-5H3
• InChIKey: VZQZHXCSKVDXKH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (CID 43964522) is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)N(CCCN(C)C)c2nc3c(C)ccc(C)c3s2)c1.

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

The InChIKey is VZQZHXCSKVDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-16-10-11-17(2)22-21(16)24-23(30-22)26(13-7-12-25(3)4)20(27)15-29-19-9-6-8-18(14-19)28-5/h6,8-11,14H,7,12-13,15H2,1-5H3.

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

N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 427.57 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 43964522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).