1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one

C15H20F3N5O2S — CID 154773262

About 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one

1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 154773262) has the molecular formula C15H20F3N5O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 154773262
• Molecular Formula: C15H20F3N5O2S
• Molecular Weight: 391.42 g/mol
• Exact Mass: 391.13
• IUPAC Name: 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: CN1CC(C(=O)N2CCC(C)(Nc3nc(C(F)(F)F)ns3)CC2)CC1=O
• InChI: InChI=1S/C15H20F3N5O2S/c1-14(20-13-19-12(21-26-13)15(16,17)18)3-5-23(6-4-14)11(25)9-7-10(24)22(2)8-9/h9H,3-8H2,1-2H3,(H,19,20,21)
• InChIKey: GFAWZPLVCKUZLJ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.42
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one (CID 154773262) is 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one is CN1CC(C(=O)N2CCC(C)(Nc3nc(C(F)(F)F)ns3)CC2)CC1=O.

What is the InChIKey of 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is GFAWZPLVCKUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2S/c1-14(20-13-19-12(21-26-13)15(16,17)18)3-5-23(6-4-14)11(25)9-7-10(24)22(2)8-9/h9H,3-8H2,1-2H3,(H,19,20,21).

What are the key properties of 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one?

1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 391.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 154773262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).