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

C10H18N4O2S — CID 938432

IUPAC2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCC(C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C10H18N4O2S/c1-6(2)8(11)9-12-13-10(16-9)17-5-7(15)14(3)4/h6,8H,5,11H2,1-4H3/t8-/m0/s1
InChIKeyHZIKQGPYNIHKGJ-QMMMGPOBSA-N
MW258.35 g/mol
LogP0.91
Rot. Bonds5

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

2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 938432) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID938432
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCC(C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1
InChIInChI=1S/C10H18N4O2S/c1-6(2)8(11)9-12-13-10(16-9)17-5-7(15)14(3)4/h6,8H,5,11H2,1-4H3/t8-/m0/s1
InChIKeyHZIKQGPYNIHKGJ-QMMMGPOBSA-N
XLogP0.91
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.91
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-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 938432) is 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is CC(C)[C@H](N)c1nnc(SCC(=O)N(C)C)o1.
What is the InChIKey of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is HZIKQGPYNIHKGJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(2)8(11)9-12-13-10(16-9)17-5-7(15)14(3)4/h6,8H,5,11H2,1-4H3/t8-/m0/s1.
What are the key properties of 2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 258.35 g/mol, XLogP of 0.91, 5 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-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 938432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).