4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C23H18N6O2S — CID 162714860

About 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 162714860) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 162714860
• Molecular Formula: C23H18N6O2S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.12
• IUPAC Name: 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)n2ncnc2n1
• InChI: InChI=1S/C23H18N6O2S/c1-14-12-19(29-23(26-14)24-13-25-29)31-18-10-8-17(9-11-18)28-21(30)20-15(2)27-22(32-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,28,30)
• InChIKey: QJHLDHMIFSZTCL-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 162714860) is 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1cc(Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)n2ncnc2n1.

What is the InChIKey of 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is QJHLDHMIFSZTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-14-12-19(29-23(26-14)24-13-25-29)31-18-10-8-17(9-11-18)28-21(30)20-15(2)27-22(32-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,28,30).

What are the key properties of 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162714860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).