4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

C22H24N2O2S — CID 46741080

About 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 46741080) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 46741080
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(OCc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)s2)c1
• InChI: InChI=1S/C22H24N2O2S/c1-14(2)17-8-10-18(11-9-17)24-22(25)21-16(4)23-20(27-21)13-26-19-7-5-6-15(3)12-19/h5-12,14H,13H2,1-4H3,(H,24,25)
• InChIKey: GDXUFYOEHJCHPG-UHFFFAOYSA-N
• XLogP: 5.71
• 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	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 46741080) is 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(OCc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)s2)c1.

What is the InChIKey of 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?

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

What are the key properties of 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?

4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46741080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).