[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C6H11N3O2S — CID 102630421

IUPAC[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOCCSc1nnc(CN)o1
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-12-6-9-8-5(4-7)11-6/h2-4,7H2,1H3
InChIKeyODKZTXOCCPZLNI-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.27
Rot. Bonds5

About [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630421) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630421
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOCCSc1nnc(CN)o1
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-12-6-9-8-5(4-7)11-6/h2-4,7H2,1H3
InChIKeyODKZTXOCCPZLNI-UHFFFAOYSA-N
XLogP0.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630315
[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630737
N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 102630633
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
2-(2-ethoxyethylsulfanyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 78831817
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
[5-(4-phenylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630594
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630087
[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629966

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630421) is [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is COCCSc1nnc(CN)o1.
What is the InChIKey of [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ODKZTXOCCPZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-10-2-3-12-6-9-8-5(4-7)11-6/h2-4,7H2,1H3.
What are the key properties of [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 189.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).