2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide

C10H18N4O2S — CID 663217

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(CCN)o1
InChIInChI=1S/C10H18N4O2S/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11/h3-7,11H2,1-2H3
InChIKeyIQKQBCKDORLDHJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.53
Rot. Bonds7

About 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 663217) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID663217
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(CCN)o1
InChIInChI=1S/C10H18N4O2S/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11/h3-7,11H2,1-2H3
InChIKeyIQKQBCKDORLDHJ-UHFFFAOYSA-N
XLogP0.53
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (CID 663217) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc(CCN)o1.
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is IQKQBCKDORLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-14(4-2)9(15)7-17-10-13-12-8(16-10)5-6-11/h3-7,11H2,1-2H3.
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 258.35 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 663217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).