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

C8H14N4O2S — CID 931613

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESC[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C8H14N4O2S/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3/h5H,4,9H2,1-3H3/t5-/m0/s1
InChIKeyHKFCQPLFLKLDHW-YFKPBYRVSA-N
MW230.29 g/mol
LogP0.27
Rot. Bonds4

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 931613) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID931613
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESC[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C8H14N4O2S/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3/h5H,4,9H2,1-3H3/t5-/m0/s1
InChIKeyHKFCQPLFLKLDHW-YFKPBYRVSA-N
XLogP0.27
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride
CID 6603366
(S)-2-((5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 16682472
2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 16745845
2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N,N-dimethyl-acetamide
CID 11957162
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
CID 938432
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylacetamide
CID 663215
2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-diethylacetamide
CID 937320
2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 1401237
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314749
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314800
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53351358
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
CID 53351468

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 931613) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is C[C@H](N)c1nnc(SCC(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is HKFCQPLFLKLDHW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5(9)7-10-11-8(14-7)15-4-6(13)12(2)3/h5H,4,9H2,1-3H3/t5-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 230.29 g/mol, XLogP of 0.27, 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 is sourced from PubChem (CID 931613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).