2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride

C9H17ClN4O2S — CID 20982716

IUPAC2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESCC(C)C[C@H](N)c1nnc(SCC(N)=O)o1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-5(2)3-6(10)8-12-13-9(15-8)16-4-7(11)14;/h5-6H,3-4,10H2,1-2H3,(H2,11,14);1H/t6-;/m0./s1
InChIKeyWHPVCCADHNNKOK-RGMNGODLSA-N
MW280.78 g/mol
LogP1.11
Rot. Bonds6

About 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride

2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (PubChem CID 20982716) has the molecular formula C9H17ClN4O2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
PubChem CID20982716
Molecular FormulaC9H17ClN4O2S
Molecular Weight280.78 g/mol
Exact Mass280.08
IUPAC Name2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESCC(C)C[C@H](N)c1nnc(SCC(N)=O)o1.Cl
InChIInChI=1S/C9H16N4O2S.ClH/c1-5(2)3-6(10)8-12-13-9(15-8)16-4-7(11)14;/h5-6H,3-4,10H2,1-2H3,(H2,11,14);1H/t6-;/m0./s1
InChIKeyWHPVCCADHNNKOK-RGMNGODLSA-N
XLogP1.11
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The IUPAC name of 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (CID 20982716) is 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride is CC(C)C[C@H](N)c1nnc(SCC(N)=O)o1.Cl.
What is the InChIKey of 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The InChIKey is WHPVCCADHNNKOK-RGMNGODLSA-N. The full InChI is InChI=1S/C9H16N4O2S.ClH/c1-5(2)3-6(10)8-12-13-9(15-8)16-4-7(11)14;/h5-6H,3-4,10H2,1-2H3,(H2,11,14);1H/t6-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 20982716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).