[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium

C15H22N5O4S+ — CID 9377520

IUPAC[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
SMILESCN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C15H21N5O4S/c1-19(2)9-13-17-18-15(24-13)25-10-14(22)20(3)8-12(21)16-7-11-5-4-6-23-11/h4-6H,7-10H2,1-3H3,(H,16,21)/p+1
InChIKeyVQLYWHDZQJXXDU-UHFFFAOYSA-O
MW368.44 g/mol
LogP-0.83
Rot. Bonds9

About [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium

[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium (PubChem CID 9377520) has the molecular formula C15H22N5O4S+ and a molecular weight of 368.44 g/mol. Its IUPAC name is [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
PubChem CID9377520
Molecular FormulaC15H22N5O4S+
Molecular Weight368.44 g/mol
Exact Mass368.14
IUPAC Name[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium
SMILESCN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(C[NH+](C)C)o1
InChIInChI=1S/C15H21N5O4S/c1-19(2)9-13-17-18-15(24-13)25-10-14(22)20(3)8-12(21)16-7-11-5-4-6-23-11/h4-6H,7-10H2,1-3H3,(H,16,21)/p+1
InChIKeyVQLYWHDZQJXXDU-UHFFFAOYSA-O
XLogP-0.83
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]acetamide
CID 9373420
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9379488
N-[[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 5235710
N-(furan-2-ylmethylcarbamoyl)-2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9465218
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 47004091
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-piperidin-1-ium-1-ylacetamide
CID 9253639
N-(furan-2-ylmethyl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 865332
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 42978965
2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 102630077
N-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682738
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2706987

Frequently Asked Questions

What is the IUPAC name of [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium?
The IUPAC name of [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium (CID 9377520) is [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium.
What is the SMILES notation for [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium?
The canonical SMILES for [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium is CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(C[NH+](C)C)o1.
What is the InChIKey of [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium?
The InChIKey is VQLYWHDZQJXXDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N5O4S/c1-19(2)9-13-17-18-15(24-13)25-10-14(22)20(3)8-12(21)16-7-11-5-4-6-23-11/h4-6H,7-10H2,1-3H3,(H,16,21)/p+1.
What are the key properties of [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium?
[5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium has a molecular weight of 368.44 g/mol, XLogP of -0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl-dimethylazanium is sourced from PubChem (CID 9377520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).