2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

C19H27Cl2N3O3S — CID 120601834

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120601834) has the molecular formula C19H27Cl2N3O3S and a molecular weight of 448.42 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
• PubChem CID: 120601834
• Molecular Formula: C19H27Cl2N3O3S
• Molecular Weight: 448.42 g/mol
• Exact Mass: 447.12
• IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
• SMILES: COc1ccc(-c2nc(CC(=O)NC3CCNC(C)C3)cs2)cc1OC.Cl.Cl
• InChI: InChI=1S/C19H25N3O3S.2ClH/c1-12-8-14(6-7-20-12)21-18(23)10-15-11-26-19(22-15)13-4-5-16(24-2)17(9-13)25-3;;/h4-5,9,11-12,14,20H,6-8,10H2,1-3H3,(H,21,23);2*1H
• InChIKey: ABGLMYWLNIZJRU-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.42
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?

The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120601834) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.

What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?

The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is COc1ccc(-c2nc(CC(=O)NC3CCNC(C)C3)cs2)cc1OC.Cl.Cl.

What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?

The InChIKey is ABGLMYWLNIZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.2ClH/c1-12-8-14(6-7-20-12)21-18(23)10-15-11-26-19(22-15)13-4-5-16(24-2)17(9-13)25-3;;/h4-5,9,11-12,14,20H,6-8,10H2,1-3H3,(H,21,23);2*1H.

What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 448.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120601834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).