4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C26H22N6O2S — CID 122312655

About 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122312655) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122312655
• Molecular Formula: C26H22N6O2S
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.15
• IUPAC Name: 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)cc(-n2ccnc2C)n1
• InChI: InChI=1S/C26H22N6O2S/c1-16-24(35-26(28-16)19-7-5-4-6-8-19)25(33)31-20-9-11-21(12-10-20)34-23-15-22(29-17(2)30-23)32-14-13-27-18(32)3/h4-15H,1-3H3,(H,31,33)
• InChIKey: USKFWFZNFFERCA-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 122312655) is 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)cc(-n2ccnc2C)n1.

What is the InChIKey of 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is USKFWFZNFFERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c1-16-24(35-26(28-16)19-7-5-4-6-8-19)25(33)31-20-9-11-21(12-10-20)34-23-15-22(29-17(2)30-23)32-14-13-27-18(32)3/h4-15H,1-3H3,(H,31,33).

What are the key properties of 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122312655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).