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

C10H18N4O2S — CID 936723

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc([C@H](C)N)o1
InChIInChI=1S/C10H18N4O2S/c1-4-14(5-2)8(15)6-17-10-13-12-9(16-10)7(3)11/h7H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyCBFDMVMJCXUGCE-ZETCQYMHSA-N
MW258.35 g/mol
LogP1.05
Rot. Bonds6

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 936723) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID936723
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc([C@H](C)N)o1
InChIInChI=1S/C10H18N4O2S/c1-4-14(5-2)8(15)6-17-10-13-12-9(16-10)7(3)11/h7H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyCBFDMVMJCXUGCE-ZETCQYMHSA-N
XLogP1.05
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (CID 936723) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc([C@H](C)N)o1.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is CBFDMVMJCXUGCE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-14(5-2)8(15)6-17-10-13-12-9(16-10)7(3)11/h7H,4-6,11H2,1-3H3/t7-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 258.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 936723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).