[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium

C22H24N3OS2+ — CID 9136360

About [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium

[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium (PubChem CID 9136360) has the molecular formula C22H24N3OS2+ and a molecular weight of 410.59 g/mol. Its IUPAC name is [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium.

Molecular Properties

• Compound Name: [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
• PubChem CID: 9136360
• Molecular Formula: C22H24N3OS2+
• Molecular Weight: 410.59 g/mol
• Exact Mass: 410.14
• IUPAC Name: [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
• SMILES: CCCc1ccc([C@H]([NH2+][C@H](C)c2nnc(-c3cccs3)o2)c2cccs2)cc1
• InChI: InChI=1S/C22H23N3OS2/c1-3-6-16-9-11-17(12-10-16)20(18-7-4-13-27-18)23-15(2)21-24-25-22(26-21)19-8-5-14-28-19/h4-5,7-15,20,23H,3,6H2,1-2H3/p+1/t15-,20+/m1/s1
• InChIKey: YPDHSBLGXXVWEW-QRWLVFNGSA-O
• XLogP: 5.23
• TPSA: 55.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.59
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The IUPAC name of [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium (CID 9136360) is [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium.

What is the SMILES notation for [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The canonical SMILES for [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium is CCCc1ccc([C@H]([NH2+][C@H](C)c2nnc(-c3cccs3)o2)c2cccs2)cc1.

What is the InChIKey of [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The InChIKey is YPDHSBLGXXVWEW-QRWLVFNGSA-O. The full InChI is InChI=1S/C22H23N3OS2/c1-3-6-16-9-11-17(12-10-16)20(18-7-4-13-27-18)23-15(2)21-24-25-22(26-21)19-8-5-14-28-19/h4-5,7-15,20,23H,3,6H2,1-2H3/p+1/t15-,20+/m1/s1.

What are the key properties of [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium has a molecular weight of 410.59 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium is sourced from PubChem (CID 9136360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).