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

C18H25N6O2S+ — CID 8690020

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

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8690020) has the molecular formula C18H25N6O2S+ and a molecular weight of 389.51 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 8690020
• Molecular Formula: C18H25N6O2S+
• Molecular Weight: 389.51 g/mol
• Exact Mass: 389.18
• IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: CCC[NH+](CC(=O)Nc1c(C)nn(C)c1C)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C18H24N6O2S/c1-5-8-24(10-15(25)19-17-12(2)22-23(4)13(17)3)11-16-20-21-18(26-16)14-7-6-9-27-14/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,25)/p+1
• InChIKey: UVGNYYMITBAEQZ-UHFFFAOYSA-O
• XLogP: 1.58
• TPSA: 90.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.51
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8690020) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

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

The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)Nc1c(C)nn(C)c1C)Cc1nnc(-c2cccs2)o1.

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

The InChIKey is UVGNYYMITBAEQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N6O2S/c1-5-8-24(10-15(25)19-17-12(2)22-23(4)13(17)3)11-16-20-21-18(26-16)14-7-6-9-27-14/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,25)/p+1.

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

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 389.51 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8690020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).