[2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol

C24H28F3N5OS — CID 67431996

About [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol

[2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol (PubChem CID 67431996) has the molecular formula C24H28F3N5OS and a molecular weight of 491.58 g/mol. Its IUPAC name is [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

• Compound Name: [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol
• PubChem CID: 67431996
• Molecular Formula: C24H28F3N5OS
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.20
• IUPAC Name: [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3(C)CCCCC3CO)s2)c1
• InChI: InChI=1S/C24H28F3N5OS/c1-15-9-16(11-18(10-15)31-22-28-8-6-20(32-22)24(25,26)27)19-12-29-21(34-19)13-30-23(2)7-4-3-5-17(23)14-33/h6,8-12,17,30,33H,3-5,7,13-14H2,1-2H3,(H,28,31,32)
• InChIKey: JLNDNNWUXREBQR-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 82.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol (CID 67431996) is [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol.

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

The canonical SMILES for [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3(C)CCCCC3CO)s2)c1.

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

The InChIKey is JLNDNNWUXREBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5OS/c1-15-9-16(11-18(10-15)31-22-28-8-6-20(32-22)24(25,26)27)19-12-29-21(34-19)13-30-23(2)7-4-3-5-17(23)14-33/h6,8-12,17,30,33H,3-5,7,13-14H2,1-2H3,(H,28,31,32).

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

[2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol has a molecular weight of 491.58 g/mol, XLogP of 5.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 67431996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).