2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

C23H28N4O3S2 — CID 46471794

About 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46471794) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 46471794
• Molecular Formula: C23H28N4O3S2
• Molecular Weight: 472.64 g/mol
• Exact Mass: 472.16
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ccc(-c2nc(C)c(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)s2)cc1OC
• InChI: InChI=1S/C23H28N4O3S2/c1-14-6-5-9-27(11-14)12-17-13-31-23(25-17)26-21(28)20-15(2)24-22(32-20)16-7-8-18(29-3)19(10-16)30-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,25,26,28)
• InChIKey: IZJXEFAEZANTEW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.64
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 46471794) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3nc(CN4CCCC(C)C4)cs3)s2)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is IZJXEFAEZANTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-14-6-5-9-27(11-14)12-17-13-31-23(25-17)26-21(28)20-15(2)24-22(32-20)16-7-8-18(29-3)19(10-16)30-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,25,26,28).

What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 472.64 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46471794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).