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

C14H18ClN4O2S- — CID 53314688

IUPAC2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
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/p-1/t11-;/m0./s1
InChIKeyIISGOGYGBWFMAR-MERQFXBCSA-M
MW341.84 g/mol
LogP-1.50
Rot. Bonds6

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

2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride (PubChem CID 53314688) has the molecular formula C14H18ClN4O2S- and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
PubChem CID53314688
Molecular FormulaC14H18ClN4O2S-
Molecular Weight341.84 g/mol
Exact Mass341.08
IUPAC Name2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
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/p-1/t11-;/m0./s1
InChIKeyIISGOGYGBWFMAR-MERQFXBCSA-M
XLogP-1.50
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 5-1.50
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-dimethylacetamide 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 chloride
CID 53346721
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide;hydrochloride
CID 6603485
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
methyl 2-[2-[[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 4834828

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 chloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride (CID 53314688) is 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride 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 chloride?
The InChIKey is IISGOGYGBWFMAR-MERQFXBCSA-M. 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/p-1/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 chloride?
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride has a molecular weight of 341.84 g/mol, XLogP of -1.50, 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 chloride is sourced from PubChem (CID 53314688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).