[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C14H18F3N4O2S+ — CID 9371927

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9371927) has the molecular formula C14H18F3N4O2S+ and a molecular weight of 363.39 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 9371927
• Molecular Formula: C14H18F3N4O2S+
• Molecular Weight: 363.39 g/mol
• Exact Mass: 363.11
• IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: CCC[NH+](CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C14H17F3N4O2S/c1-2-5-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(23-12)10-4-3-6-24-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,22)/p+1
• InChIKey: UCJYFDQXDTYNIB-UHFFFAOYSA-O
• XLogP: 1.27
• TPSA: 72.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.39
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9371927) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The InChIKey is UCJYFDQXDTYNIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17F3N4O2S/c1-2-5-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(23-12)10-4-3-6-24-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,22)/p+1.

What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 363.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9371927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).