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

C24H23N3O3S2 — CID 20894858

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

2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 20894858) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 20894858
• Molecular Formula: C24H23N3O3S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.12
• IUPAC Name: 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: COc1ccccc1-c1csc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)n1
• InChI: InChI=1S/C24H23N3O3S2/c1-14-9-10-15(2)20(11-14)30-12-21-25-16(3)22(32-21)23(28)27-24-26-18(13-31-24)17-7-5-6-8-19(17)29-4/h5-11,13H,12H2,1-4H3,(H,26,27,28)
• InChIKey: HECJACUVEWIKRL-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 20894858) is 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1-c1csc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)n1.

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

The InChIKey is HECJACUVEWIKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-14-9-10-15(2)20(11-14)30-12-21-25-16(3)22(32-21)23(28)27-24-26-18(13-31-24)17-7-5-6-8-19(17)29-4/h5-11,13H,12H2,1-4H3,(H,26,27,28).

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

2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).