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

C14H19ClN4O2S — CID 6602827

IUPAC2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3;1H/t11-;/m0./s1
InChIKeyIISGOGYGBWFMAR-MERQFXBCSA-N
MW342.85 g/mol
LogP1.91
Rot. Bonds6

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

2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride (PubChem CID 6602827) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
PubChem CID6602827
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl
InChIInChI=1S/C14H18N4O2S.ClH/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3;1H/t11-;/m0./s1
InChIKeyIISGOGYGBWFMAR-MERQFXBCSA-N
XLogP1.91
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.91
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-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride (CID 6602827) is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.Cl.
What is the InChIKey of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is IISGOGYGBWFMAR-MERQFXBCSA-N. The full InChI is InChI=1S/C14H18N4O2S.ClH/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride?
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 342.85 g/mol, XLogP of 1.91, 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-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 6602827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).