N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide

C26H26F3N7O2S — CID 67430719

About N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide

N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide (PubChem CID 67430719) has the molecular formula C26H26F3N7O2S and a molecular weight of 557.60 g/mol. Its IUPAC name is N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide.

Molecular Properties

• Compound Name: N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide
• PubChem CID: 67430719
• Molecular Formula: C26H26F3N7O2S
• Molecular Weight: 557.60 g/mol
• Exact Mass: 557.18
• IUPAC Name: N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(NC(=O)Cn4ccnc4)CC3)s2)c1
• InChI: InChI=1S/C26H26F3N7O2S/c1-16-10-17(12-19(11-16)34-24-31-7-4-21(35-24)26(27,28)29)20-13-32-23(39-20)25(38)5-2-18(3-6-25)33-22(37)14-36-9-8-30-15-36/h4,7-13,15,18,38H,2-3,5-6,14H2,1H3,(H,33,37)(H,31,34,35)
• InChIKey: LYPVCNVWLKTVRQ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 117.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide?

The IUPAC name of N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide (CID 67430719) is N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide.

What is the SMILES notation for N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide?

The canonical SMILES for N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(NC(=O)Cn4ccnc4)CC3)s2)c1.

What is the InChIKey of N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide?

The InChIKey is LYPVCNVWLKTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2S/c1-16-10-17(12-19(11-16)34-24-31-7-4-21(35-24)26(27,28)29)20-13-32-23(39-20)25(38)5-2-18(3-6-25)33-22(37)14-36-9-8-30-15-36/h4,7-13,15,18,38H,2-3,5-6,14H2,1H3,(H,33,37)(H,31,34,35).

What are the key properties of N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide?

N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide has a molecular weight of 557.60 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 67430719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).