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

C19H30N5O3S+ — CID 8768546

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

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8768546) has the molecular formula C19H30N5O3S+ and a molecular weight of 408.55 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium
• PubChem CID: 8768546
• Molecular Formula: C19H30N5O3S+
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.21
• IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+](C)CC(=O)NC(C)(C)C
• InChI: InChI=1S/C19H29N5O3S/c1-6-9-24(12-16-21-22-18(27-16)14-8-7-10-28-14)17(26)13-23(5)11-15(25)20-19(2,3)4/h7-8,10H,6,9,11-13H2,1-5H3,(H,20,25)/p+1
• InChIKey: UUFXOJBWVREDEB-UHFFFAOYSA-O
• XLogP: 0.97
• TPSA: 92.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium (CID 8768546) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium.

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

The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+](C)CC(=O)NC(C)(C)C.

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

The InChIKey is UUFXOJBWVREDEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N5O3S/c1-6-9-24(12-16-21-22-18(27-16)14-8-7-10-28-14)17(26)13-23(5)11-15(25)20-19(2,3)4/h7-8,10H,6,9,11-13H2,1-5H3,(H,20,25)/p+1.

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

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 408.55 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8768546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).