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

C16H20F3N5O2S — CID 133331678

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

1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133331678) has the molecular formula C16H20F3N5O2S and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
• PubChem CID: 133331678
• Molecular Formula: C16H20F3N5O2S
• Molecular Weight: 403.43 g/mol
• Exact Mass: 403.13
• IUPAC Name: 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
• SMILES: CCCc1cc(=O)n2nc(N3CCCC(C(=O)NCC(F)(F)F)C3)sc2n1
• InChI: InChI=1S/C16H20F3N5O2S/c1-2-4-11-7-12(25)24-14(21-11)27-15(22-24)23-6-3-5-10(8-23)13(26)20-9-16(17,18)19/h7,10H,2-6,8-9H2,1H3,(H,20,26)
• InChIKey: ZZKBHVGXZGNUTM-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.43
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133331678) is 1-(5-oxo-7-propyl-[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-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCc1cc(=O)n2nc(N3CCCC(C(=O)NCC(F)(F)F)C3)sc2n1.

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

The InChIKey is ZZKBHVGXZGNUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2S/c1-2-4-11-7-12(25)24-14(21-11)27-15(22-24)23-6-3-5-10(8-23)13(26)20-9-16(17,18)19/h7,10H,2-6,8-9H2,1H3,(H,20,26).

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

1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133331678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).