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

C23H20N4O4S2 — CID 55669716

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55669716) has the molecular formula C23H20N4O4S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 55669716
• Molecular Formula: C23H20N4O4S2
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.09
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)s2)cc1OC
• InChI: InChI=1S/C23H20N4O4S2/c1-13-19(33-22(25-13)15-6-9-17(30-2)18(12-15)31-3)21(29)26-16-7-4-14(5-8-16)20(28)27-23-24-10-11-32-23/h4-12H,1-3H3,(H,26,29)(H,24,27,28)
• InChIKey: LUUVLOBSSMYDIK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 102.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 55669716) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)s2)cc1OC.

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

The InChIKey is LUUVLOBSSMYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S2/c1-13-19(33-22(25-13)15-6-9-17(30-2)18(12-15)31-3)21(29)26-16-7-4-14(5-8-16)20(28)27-23-24-10-11-32-23/h4-12H,1-3H3,(H,26,29)(H,24,27,28).

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 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-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55669716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).