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

C8H14ClN4O2S- — CID 53314749

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
SMILESC[C@H](N)c1nnc(SCC(=O)N(C)C)o1.[Cl-]
InChIInChI=1S/C8H14N4O2S.ClH/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3;/h5H,4,9H2,1-3H3;1H/p-1/t5-;/m0./s1
InChIKeyBEXKKIWUAFIXJI-JEDNCBNOSA-M
MW265.75 g/mol
LogP-2.73
Rot. Bonds4

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride (PubChem CID 53314749) has the molecular formula C8H14ClN4O2S- and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
PubChem CID53314749
Molecular FormulaC8H14ClN4O2S-
Molecular Weight265.75 g/mol
Exact Mass265.05
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
SMILESC[C@H](N)c1nnc(SCC(=O)N(C)C)o1.[Cl-]
InChIInChI=1S/C8H14N4O2S.ClH/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3;/h5H,4,9H2,1-3H3;1H/p-1/t5-;/m0./s1
InChIKeyBEXKKIWUAFIXJI-JEDNCBNOSA-M
XLogP-2.73
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 5-2.73
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-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride (CID 53314749) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride is C[C@H](N)c1nnc(SCC(=O)N(C)C)o1.[Cl-].
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride?
The InChIKey is BEXKKIWUAFIXJI-JEDNCBNOSA-M. The full InChI is InChI=1S/C8H14N4O2S.ClH/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3;/h5H,4,9H2,1-3H3;1H/p-1/t5-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride has a molecular weight of 265.75 g/mol, XLogP of -2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride is sourced from PubChem (CID 53314749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).