1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H18F3N5O2S — CID 133331728

About 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133331728) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
• PubChem CID: 133331728
• Molecular Formula: C15H18F3N5O2S
• Molecular Weight: 389.40 g/mol
• Exact Mass: 389.11
• IUPAC Name: 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
• SMILES: CCc1cc(=O)n2nc(N3CCCC(C(=O)NCC(F)(F)F)C3)sc2n1
• InChI: InChI=1S/C15H18F3N5O2S/c1-2-10-6-11(24)23-13(20-10)26-14(21-23)22-5-3-4-9(7-22)12(25)19-8-15(16,17)18/h6,9H,2-5,7-8H2,1H3,(H,19,25)
• InChIKey: VOXSOHYNZJGUPW-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.40
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?

The IUPAC name of 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133331728) is 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCc1cc(=O)n2nc(N3CCCC(C(=O)NCC(F)(F)F)C3)sc2n1.

What is the InChIKey of 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?

The InChIKey is VOXSOHYNZJGUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c1-2-10-6-11(24)23-13(20-10)26-14(21-23)22-5-3-4-9(7-22)12(25)19-8-15(16,17)18/h6,9H,2-5,7-8H2,1H3,(H,19,25).

What are the key properties of 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?

1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133331728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).