[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium

C17H17N4O2S2+ — CID 9284679

IUPAC[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium
SMILESC[C@@H](c1nc2ccccc2s1)[NH+](C)Cn1nc(-c2ccco2)oc1=S
InChIInChI=1S/C17H16N4O2S2/c1-11(16-18-12-6-3-4-8-14(12)25-16)20(2)10-21-17(24)23-15(19-21)13-7-5-9-22-13/h3-9,11H,10H2,1-2H3/p+1/t11-/m0/s1
InChIKeyJYVHWOFWDABDCG-NSHDSACASA-O
MW373.48 g/mol
LogP3.31
Rot. Bonds5

About [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium

[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium (PubChem CID 9284679) has the molecular formula C17H17N4O2S2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium
PubChem CID9284679
Molecular FormulaC17H17N4O2S2+
Molecular Weight373.48 g/mol
Exact Mass373.08
IUPAC Name[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium
SMILESC[C@@H](c1nc2ccccc2s1)[NH+](C)Cn1nc(-c2ccco2)oc1=S
InChIInChI=1S/C17H16N4O2S2/c1-11(16-18-12-6-3-4-8-14(12)25-16)20(2)10-21-17(24)23-15(19-21)13-7-5-9-22-13/h3-9,11H,10H2,1-2H3/p+1/t11-/m0/s1
InChIKeyJYVHWOFWDABDCG-NSHDSACASA-O
XLogP3.31
TPSA61.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium
CID 9284689
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[[4-(3-fluorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 9284853
bis(2-cyanoethyl)-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium
CID 2486812
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methylazanium
CID 9047220
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9284737
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9284735
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 9284657
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]azanium
CID 8805214
5-(furan-2-yl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 7301237
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9047830
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(7-ethyl-2-oxochromen-4-yl)methyl]-methylazanium
CID 9048075
[(3S)-1,1-dioxothiolan-3-yl]-ethyl-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium
CID 9242790

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium?
The IUPAC name of [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium (CID 9284679) is [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium.
What is the SMILES notation for [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium?
The canonical SMILES for [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium is C[C@@H](c1nc2ccccc2s1)[NH+](C)Cn1nc(-c2ccco2)oc1=S.
What is the InChIKey of [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium?
The InChIKey is JYVHWOFWDABDCG-NSHDSACASA-O. The full InChI is InChI=1S/C17H16N4O2S2/c1-11(16-18-12-6-3-4-8-14(12)25-16)20(2)10-21-17(24)23-15(19-21)13-7-5-9-22-13/h3-9,11H,10H2,1-2H3/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium?
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium has a molecular weight of 373.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[5-(furan-2-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium is sourced from PubChem (CID 9284679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).