[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

C17H19N4O3S+ — CID 9104832

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C17H18N4O3S/c1-21(10-15(22)18-12-6-3-4-8-14(12)25-2)11-16-19-20-17(24-16)13-7-5-9-23-13/h3-9H,10-11H2,1-2H3,(H,18,22)/p+1
InChIKeyFEDSYTVJNWDTAX-UHFFFAOYSA-O
MW359.43 g/mol
LogP1.70
Rot. Bonds7

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 9104832) has the molecular formula C17H19N4O3S+ and a molecular weight of 359.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID9104832
Molecular FormulaC17H19N4O3S+
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C17H18N4O3S/c1-21(10-15(22)18-12-6-3-4-8-14(12)25-2)11-16-19-20-17(24-16)13-7-5-9-23-13/h3-9H,10-11H2,1-2H3,(H,18,22)/p+1
InChIKeyFEDSYTVJNWDTAX-UHFFFAOYSA-O
XLogP1.70
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2-phenylanilino)ethyl]-propylazanium
CID 9371816
[2-(2,4-difluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371293
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371748
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
[2-(4-tert-butylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371226
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9303229
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9105564
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
CID 9371658
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-propylazanium
CID 9370920
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
CID 9371148
[2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8814420

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (CID 9104832) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is CSc1ccccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is FEDSYTVJNWDTAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O3S/c1-21(10-15(22)18-12-6-3-4-8-14(12)25-2)11-16-19-20-17(24-16)13-7-5-9-23-13/h3-9H,10-11H2,1-2H3,(H,18,22)/p+1.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 359.43 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9104832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).