2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

C8H14N2O2S2 — CID 78831817

IUPAC2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCCOCCSc1nnc(CSC)o1
InChIInChI=1S/C8H14N2O2S2/c1-3-11-4-5-14-8-10-9-7(12-8)6-13-2/h3-6H2,1-2H3
InChIKeyUYDDCHHMRFFWHS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.06
Rot. Bonds7

About 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole

2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 78831817) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID78831817
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCCOCCSc1nnc(CSC)o1
InChIInChI=1S/C8H14N2O2S2/c1-3-11-4-5-14-8-10-9-7(12-8)6-13-2/h3-6H2,1-2H3
InChIKeyUYDDCHHMRFFWHS-UHFFFAOYSA-N
XLogP2.06
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethylsulfanyl)-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 60561546
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 47132283
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47132262
N-(3-methoxypropyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24574331
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786647
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 134021413
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47132217
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 51289641

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (CID 78831817) is 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is CCOCCSc1nnc(CSC)o1.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is UYDDCHHMRFFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-3-11-4-5-14-8-10-9-7(12-8)6-13-2/h3-6H2,1-2H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 234.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 78831817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).