4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol

C24H27F3N4O2S — CID 70984138

About 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol

4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol (PubChem CID 70984138) has the molecular formula C24H27F3N4O2S and a molecular weight of 492.57 g/mol. Its IUPAC name is 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol
• PubChem CID: 70984138
• Molecular Formula: C24H27F3N4O2S
• Molecular Weight: 492.57 g/mol
• Exact Mass: 492.18
• IUPAC Name: 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(O)C3CCC(C)(O)CC3)s2)c1
• InChI: InChI=1S/C24H27F3N4O2S/c1-14-10-15(12-17(11-14)30-21-28-9-6-19(31-21)24(25,26)27)18-13-29-20(34-18)23(3,33)16-4-7-22(2,32)8-5-16/h6,9-13,16,32-33H,4-5,7-8H2,1-3H3,(H,28,30,31)
• InChIKey: BZHGSZDEICTDRN-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 91.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.57
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol?

The IUPAC name of 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol (CID 70984138) is 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol.

What is the SMILES notation for 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol?

The canonical SMILES for 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(O)C3CCC(C)(O)CC3)s2)c1.

What is the InChIKey of 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol?

The InChIKey is BZHGSZDEICTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2S/c1-14-10-15(12-17(11-14)30-21-28-9-6-19(31-21)24(25,26)27)18-13-29-20(34-18)23(3,33)16-4-7-22(2,32)8-5-16/h6,9-13,16,32-33H,4-5,7-8H2,1-3H3,(H,28,30,31).

What are the key properties of 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol?

4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol has a molecular weight of 492.57 g/mol, XLogP of 5.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 70984138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).