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

C12H22N4O2S — CID 937320

IUPAC2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)7-19-12-15-14-11(18-12)10(13)8(3)4/h8,10H,5-7,13H2,1-4H3/t10-/m0/s1
InChIKeyIWSXIWRQGDITOO-JTQLQIEISA-N
MW286.40 g/mol
LogP1.69
Rot. Bonds7

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

2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 937320) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID937320
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)7-19-12-15-14-11(18-12)10(13)8(3)4/h8,10H,5-7,13H2,1-4H3/t10-/m0/s1
InChIKeyIWSXIWRQGDITOO-JTQLQIEISA-N
XLogP1.69
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide with MolForge

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Related Compounds

(S)-tert-butyl (1-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
CID 662458
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 7472268
(S)-2-((5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 16682472
2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N,N-dimethyl-acetamide
CID 11957162
2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 936397
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 4797474
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
CID 938432
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 931613
2-[5-((1S)-1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-ylthio]acetamide, chloride
CID 20982716
dimethyl-[(1S)-1-[5-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
CID 2499947
2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2499948
dimethyl-[(1R)-1-[5-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
CID 2499951

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (CID 937320) is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1.
What is the InChIKey of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is IWSXIWRQGDITOO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)7-19-12-15-14-11(18-12)10(13)8(3)4/h8,10H,5-7,13H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 286.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).