N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide

C27H26N2O4S — CID 46942823

About N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46942823) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 46942823
• Molecular Formula: C27H26N2O4S
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.16
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ccc(CNC(=O)c2sc(=O)n(Cc3ccc(-c4ccccc4)cc3)c2C)cc1OC
• InChI: InChI=1S/C27H26N2O4S/c1-18-25(26(30)28-16-20-11-14-23(32-2)24(15-20)33-3)34-27(31)29(18)17-19-9-12-22(13-10-19)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30)
• InChIKey: MCAZCXPHGHKYKF-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 46942823) is N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(=O)n(Cc3ccc(-c4ccccc4)cc3)c2C)cc1OC.

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

The InChIKey is MCAZCXPHGHKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-18-25(26(30)28-16-20-11-14-23(32-2)24(15-20)33-3)34-27(31)29(18)17-19-9-12-22(13-10-19)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,30).

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

N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46942823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).