2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide

C24H29N3O2S — CID 108760840

About 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide

2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 108760840) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 108760840
• Molecular Formula: C24H29N3O2S
• Molecular Weight: 423.58 g/mol
• Exact Mass: 423.20
• IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide
• SMILES: Cc1ccc(OCC(=O)Nc2nc3ccc(CN4CCC(C)CC4)cc3s2)cc1C
• InChI: InChI=1S/C24H29N3O2S/c1-16-8-10-27(11-9-16)14-19-5-7-21-22(13-19)30-24(25-21)26-23(28)15-29-20-6-4-17(2)18(3)12-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,25,26,28)
• InChIKey: GNPJLIHGNYFSAB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.58
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide (CID 108760840) is 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc3ccc(CN4CCC(C)CC4)cc3s2)cc1C.

What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is GNPJLIHGNYFSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-16-8-10-27(11-9-16)14-19-5-7-21-22(13-19)30-24(25-21)26-23(28)15-29-20-6-4-17(2)18(3)12-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,25,26,28).

What are the key properties of 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide?

2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenoxy)-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 108760840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).