2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C7H11N3O3S — CID 43502554

IUPAC2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSCCO)o1
InChIInChI=1S/C7H11N3O3S/c1-5-9-10-7(13-5)8-6(12)4-14-3-2-11/h11H,2-4H2,1H3,(H,8,10,12)
InChIKeyREPLIKZWOZKPTB-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.04
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43502554) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43502554
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSCCO)o1
InChIInChI=1S/C7H11N3O3S/c1-5-9-10-7(13-5)8-6(12)4-14-3-2-11/h11H,2-4H2,1H3,(H,8,10,12)
InChIKeyREPLIKZWOZKPTB-UHFFFAOYSA-N
XLogP0.04
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 43502554) is 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSCCO)o1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is REPLIKZWOZKPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5-9-10-7(13-5)8-6(12)4-14-3-2-11/h11H,2-4H2,1H3,(H,8,10,12).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 217.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43502554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).