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

C22H27N4O2S+ — CID 9375001

IUPAC[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C22H26N4O2S/c1-2-12-26(15-21-24-25-22(28-21)19-11-6-13-29-19)14-20(27)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,6-7,9,11,13,18H,2,5,8,10,12,14-15H2,1H3,(H,23,27)/p+1/t18-/m0/s1
InChIKeyDZQXUTWJLRBXTK-SFHVURJKSA-O
MW411.55 g/mol
LogP2.79
Rot. Bonds8

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

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9375001) has the molecular formula C22H27N4O2S+ and a molecular weight of 411.55 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID9375001
Molecular FormulaC22H27N4O2S+
Molecular Weight411.55 g/mol
Exact Mass411.18
IUPAC Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C22H26N4O2S/c1-2-12-26(15-21-24-25-22(28-21)19-11-6-13-29-19)14-20(27)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,6-7,9,11,13,18H,2,5,8,10,12,14-15H2,1H3,(H,23,27)/p+1/t18-/m0/s1
InChIKeyDZQXUTWJLRBXTK-SFHVURJKSA-O
XLogP2.79
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium with MolForge

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Related Compounds

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41209831
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9371927
[2-(2-nitroanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9374925
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8711058
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29352664
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9044641
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7360172
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9371955
2-methoxyethyl-[2-(3-methylanilino)-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375189
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9375001) is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-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-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is DZQXUTWJLRBXTK-SFHVURJKSA-O. The full InChI is InChI=1S/C22H26N4O2S/c1-2-12-26(15-21-24-25-22(28-21)19-11-6-13-29-19)14-20(27)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,6-7,9,11,13,18H,2,5,8,10,12,14-15H2,1H3,(H,23,27)/p+1/t18-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 411.55 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9375001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).