1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one

C20H18F3N5OS — CID 67433891

About 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one

1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one (PubChem CID 67433891) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one
• PubChem CID: 67433891
• Molecular Formula: C20H18F3N5OS
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.12
• IUPAC Name: 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one
• SMILES: CN1CC(c2ncc(-c3cccc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCC1=O
• InChI: InChI=1S/C20H18F3N5OS/c1-28-11-13(5-6-17(28)29)18-25-10-15(30-18)12-3-2-4-14(9-12)26-19-24-8-7-16(27-19)20(21,22)23/h2-4,7-10,13H,5-6,11H2,1H3,(H,24,26,27)
• InChIKey: ONDLDVGZDADTKB-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one (CID 67433891) is 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one.

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

The canonical SMILES for 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one is CN1CC(c2ncc(-c3cccc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCC1=O.

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

The InChIKey is ONDLDVGZDADTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c1-28-11-13(5-6-17(28)29)18-25-10-15(30-18)12-3-2-4-14(9-12)26-19-24-8-7-16(27-19)20(21,22)23/h2-4,7-10,13H,5-6,11H2,1H3,(H,24,26,27).

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

1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one has a molecular weight of 433.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one is sourced from PubChem (CID 67433891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).