4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine

C22H20N4OS — CID 108775694

About 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine

4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 108775694) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
• PubChem CID: 108775694
• Molecular Formula: C22H20N4OS
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.14
• IUPAC Name: 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
• SMILES: COc1ccc(-c2nc(Nc3cc(-c4ccccc4)ncn3)sc2C)cc1C
• InChI: InChI=1S/C22H20N4OS/c1-14-11-17(9-10-19(14)27-3)21-15(2)28-22(26-21)25-20-12-18(23-13-24-20)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,24,25,26)
• InChIKey: VFRMVZMZNCFNQV-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?

The IUPAC name of 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 108775694) is 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(Nc3cc(-c4ccccc4)ncn3)sc2C)cc1C.

What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?

The InChIKey is VFRMVZMZNCFNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-14-11-17(9-10-19(14)27-3)21-15(2)28-22(26-21)25-20-12-18(23-13-24-20)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,24,25,26).

What are the key properties of 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine?

4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 388.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 108775694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).