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

C16H22ClN4O2S- — CID 53346721

IUPAC2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.[Cl-]
InChIInChI=1S/C16H22N4O2S.ClH/c1-3-20(4-2)14(21)11-23-16-19-18-15(22-16)13(17)10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,17H2,1-2H3;1H/p-1/t13-;/m0./s1
InChIKeyLTGDYLOCJLFOLQ-ZOWNYOTGSA-M
MW369.90 g/mol
LogP-0.72
Rot. Bonds8

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

2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride (PubChem CID 53346721) has the molecular formula C16H22ClN4O2S- and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
PubChem CID53346721
Molecular FormulaC16H22ClN4O2S-
Molecular Weight369.90 g/mol
Exact Mass369.12
IUPAC Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
SMILESCCN(CC)C(=O)CSc1nnc([C@@H](N)Cc2ccccc2)o1.[Cl-]
InChIInChI=1S/C16H22N4O2S.ClH/c1-3-20(4-2)14(21)11-23-16-19-18-15(22-16)13(17)10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,17H2,1-2H3;1H/p-1/t13-;/m0./s1
InChIKeyLTGDYLOCJLFOLQ-ZOWNYOTGSA-M
XLogP-0.72
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
CID 6603485
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314688
ethyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 52995027
(1R)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 6546261
(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 42587067
2-[[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 3367181
(1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 937321
2-phenyl-1-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 22694291
(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 663074
1-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine;hydrochloride
CID 16876446
1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
CID 3739605
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166

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-diethylacetamide chloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride (CID 53346721) is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride is CCN(CC)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-diethylacetamide chloride?
The InChIKey is LTGDYLOCJLFOLQ-ZOWNYOTGSA-M. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-3-20(4-2)14(21)11-23-16-19-18-15(22-16)13(17)10-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,17H2,1-2H3;1H/p-1/t13-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride?
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride has a molecular weight of 369.90 g/mol, XLogP of -0.72, 8 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-diethylacetamide chloride is sourced from PubChem (CID 53346721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).