2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide

C24H25F3N6O3S — CID 178132237

About 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide

2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 178132237) has the molecular formula C24H25F3N6O3S and a molecular weight of 534.56 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 178132237
• Molecular Formula: C24H25F3N6O3S
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.17
• IUPAC Name: 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1c(C(C)C)c(=O)n2nc(-c3ccc(C(C)(C)O)cc3)nc2n1CC(=O)Nc1cnc(C(F)(F)F)s1
• InChI: InChI=1S/C24H25F3N6O3S/c1-12(2)18-13(3)32(11-16(34)29-17-10-28-21(37-17)24(25,26)27)22-30-19(31-33(22)20(18)35)14-6-8-15(9-7-14)23(4,5)36/h6-10,12,36H,11H2,1-5H3,(H,29,34)
• InChIKey: KBSMDULFUVRSFV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 114.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?

The IUPAC name of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide (CID 178132237) is 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide is Cc1c(C(C)C)c(=O)n2nc(-c3ccc(C(C)(C)O)cc3)nc2n1CC(=O)Nc1cnc(C(F)(F)F)s1.

What is the InChIKey of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?

The InChIKey is KBSMDULFUVRSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3S/c1-12(2)18-13(3)32(11-16(34)29-17-10-28-21(37-17)24(25,26)27)22-30-19(31-33(22)20(18)35)14-6-8-15(9-7-14)23(4,5)36/h6-10,12,36H,11H2,1-5H3,(H,29,34).

What are the key properties of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?

2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 534.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-7-oxo-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 178132237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).