2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C9H16N4O2S — CID 43249533

IUPAC2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSCCN)o1
InChIInChI=1S/C9H16N4O2S/c1-6(2)8-12-13-9(15-8)11-7(14)5-16-4-3-10/h6H,3-5,10H2,1-2H3,(H,11,13,14)
InChIKeyFYJRASGGTLYWMF-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43249533) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43249533
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSCCN)o1
InChIInChI=1S/C9H16N4O2S/c1-6(2)8-12-13-9(15-8)11-7(14)5-16-4-3-10/h6H,3-5,10H2,1-2H3,(H,11,13,14)
InChIKeyFYJRASGGTLYWMF-UHFFFAOYSA-N
XLogP0.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.82
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-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 43249533) is 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSCCN)o1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FYJRASGGTLYWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(2)8-12-13-9(15-8)11-7(14)5-16-4-3-10/h6H,3-5,10H2,1-2H3,(H,11,13,14).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 244.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43249533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).