N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide

C22H24N2O2S — CID 1191419

About N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 1191419) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
• PubChem CID: 1191419
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
• SMILES: Cc1ccc(-c2nc(NC(=O)COc3cccc(C(C)C)c3)sc2C)cc1
• InChI: InChI=1S/C22H24N2O2S/c1-14(2)18-6-5-7-19(12-18)26-13-20(25)23-22-24-21(16(4)27-22)17-10-8-15(3)9-11-17/h5-12,14H,13H2,1-4H3,(H,23,24,25)
• InChIKey: UPGGWFRURBZILB-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide (CID 1191419) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide is Cc1ccc(-c2nc(NC(=O)COc3cccc(C(C)C)c3)sc2C)cc1.

What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide?

The InChIKey is UPGGWFRURBZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14(2)18-6-5-7-19(12-18)26-13-20(25)23-22-24-21(16(4)27-22)17-10-8-15(3)9-11-17/h5-12,14H,13H2,1-4H3,(H,23,24,25).

What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide?

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1191419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).