2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C19H25N4O3S2+ — CID 8690245

About 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8690245) has the molecular formula C19H25N4O3S2+ and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• PubChem CID: 8690245
• Molecular Formula: C19H25N4O3S2+
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.14
• IUPAC Name: 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
• SMILES: COCC[NH+](Cc1nnc(-c2cccs2)o1)[C@@H](C)C(=O)NCCc1cccs1
• InChI: InChI=1S/C19H24N4O3S2/c1-14(18(24)20-8-7-15-5-3-11-27-15)23(9-10-25-2)13-17-21-22-19(26-17)16-6-4-12-28-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1
• InChIKey: ANINNSKHSCHTQK-AWEZNQCLSA-O
• XLogP: 1.64
• TPSA: 81.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The IUPAC name of 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8690245) is 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

What is the SMILES notation for 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The canonical SMILES for 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is COCC[NH+](Cc1nnc(-c2cccs2)o1)[C@@H](C)C(=O)NCCc1cccs1.

What is the InChIKey of 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

The InChIKey is ANINNSKHSCHTQK-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H24N4O3S2/c1-14(18(24)20-8-7-15-5-3-11-27-15)23(9-10-25-2)13-17-21-22-19(26-17)16-6-4-12-28-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1.

What are the key properties of 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?

2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 421.57 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8690245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).