[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

C17H19ClN5O2S+ — CID 8711058

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)Nc1cccnc1Cl)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C17H18ClN5O2S/c1-2-8-23(10-14(24)20-12-5-3-7-19-16(12)18)11-15-21-22-17(25-15)13-6-4-9-26-13/h3-7,9H,2,8,10-11H2,1H3,(H,20,24)/p+1
InChIKeyKSFIZPPDEPIJEJ-UHFFFAOYSA-O
MW392.89 g/mol
LogP2.28
Rot. Bonds8

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8711058) has the molecular formula C17H19ClN5O2S+ and a molecular weight of 392.89 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID8711058
Molecular FormulaC17H19ClN5O2S+
Molecular Weight392.89 g/mol
Exact Mass392.09
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)Nc1cccnc1Cl)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C17H18ClN5O2S/c1-2-8-23(10-14(24)20-12-5-3-7-19-16(12)18)11-15-21-22-17(25-15)13-6-4-9-26-13/h3-7,9H,2,8,10-11H2,1H3,(H,20,24)/p+1
InChIKeyKSFIZPPDEPIJEJ-UHFFFAOYSA-O
XLogP2.28
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-nitroanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9374925
[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
[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9372486
[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-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375504
[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
[2-(4-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375255
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375027
2-methoxyethyl-[2-(3-methylanilino)-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375189
2-methoxyethyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8711076
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371748
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
CID 9371816

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8711058) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)Nc1cccnc1Cl)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is KSFIZPPDEPIJEJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClN5O2S/c1-2-8-23(10-14(24)20-12-5-3-7-19-16(12)18)11-15-21-22-17(25-15)13-6-4-9-26-13/h3-7,9H,2,8,10-11H2,1H3,(H,20,24)/p+1.
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 392.89 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8711058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).