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

C12H23ClN4O2S — CID 16682472

IUPAC2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1.Cl
InChIInChI=1S/C12H22N4O2S.ClH/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;1H/t10-;/m0./s1
InChIKeyDAKOKKQJZOFIRD-PPHPATTJSA-N
MW322.86 g/mol
LogP2.11
Rot. Bonds7

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

2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride (PubChem CID 16682472) has the molecular formula C12H23ClN4O2S and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
PubChem CID16682472
Molecular FormulaC12H23ClN4O2S
Molecular Weight322.86 g/mol
Exact Mass322.12
IUPAC Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1.Cl
InChIInChI=1S/C12H22N4O2S.ClH/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;1H/t10-;/m0./s1
InChIKeyDAKOKKQJZOFIRD-PPHPATTJSA-N
XLogP2.11
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 52.11
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;hydrochloride 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
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-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-diethylacetamide
CID 937320
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
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2499952

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;hydrochloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride (CID 16682472) is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride is CCN(CC)C(=O)CSc1nnc([C@@H](N)C(C)C)o1.Cl.
What is the InChIKey of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride?
The InChIKey is DAKOKKQJZOFIRD-PPHPATTJSA-N. The full InChI is InChI=1S/C12H22N4O2S.ClH/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;1H/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;hydrochloride?
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 2.11, 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;hydrochloride is sourced from PubChem (CID 16682472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).