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

C19H20N5O2S+ — CID 9372486

IUPAC[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)Nc1cccc(C#N)c1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H19N5O2S/c1-2-8-24(12-17(25)21-15-6-3-5-14(10-15)11-20)13-18-22-23-19(26-18)16-7-4-9-27-16/h3-7,9-10H,2,8,12-13H2,1H3,(H,21,25)/p+1
InChIKeyADNFFCIRKIIMMY-UHFFFAOYSA-O
MW382.47 g/mol
LogP2.10
Rot. Bonds8

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

[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9372486) has the molecular formula C19H20N5O2S+ and a molecular weight of 382.47 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID9372486
Molecular FormulaC19H20N5O2S+
Molecular Weight382.47 g/mol
Exact Mass382.13
IUPAC Name[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCCC[NH+](CC(=O)Nc1cccc(C#N)c1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H19N5O2S/c1-2-8-24(12-17(25)21-15-6-3-5-14(10-15)11-20)13-18-22-23-19(26-18)16-7-4-9-27-16/h3-7,9-10H,2,8,12-13H2,1H3,(H,21,25)/p+1
InChIKeyADNFFCIRKIIMMY-UHFFFAOYSA-O
XLogP2.10
TPSA96.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371324
2-methoxyethyl-[2-(3-methylanilino)-2-oxoethyl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375189
[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
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9371927
[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-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
N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335285
[2-(4-tert-butylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371226
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-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371148

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9372486) is [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is CCC[NH+](CC(=O)Nc1cccc(C#N)c1)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is ADNFFCIRKIIMMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N5O2S/c1-2-8-24(12-17(25)21-15-6-3-5-14(10-15)11-20)13-18-22-23-19(26-18)16-7-4-9-27-16/h3-7,9-10H,2,8,12-13H2,1H3,(H,21,25)/p+1.
What are the key properties of [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 382.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyanoanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9372486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).