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

C6H11ClN4O2S — CID 16745845

IUPAC2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1.Cl
InChIInChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/t3-;/m0./s1
InChIKeyFBGGBALLRSIRQT-DFWYDOINSA-N
MW238.70 g/mol
LogP0.09
Rot. Bonds4

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

2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (PubChem CID 16745845) has the molecular formula C6H11ClN4O2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
PubChem CID16745845
Molecular FormulaC6H11ClN4O2S
Molecular Weight238.70 g/mol
Exact Mass238.03
IUPAC Name2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESC[C@H](N)c1nnc(SCC(N)=O)o1.Cl
InChIInChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/t3-;/m0./s1
InChIKeyFBGGBALLRSIRQT-DFWYDOINSA-N
XLogP0.09
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 50.09
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-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The IUPAC name of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (CID 16745845) is 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride is C[C@H](N)c1nnc(SCC(N)=O)o1.Cl.
What is the InChIKey of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The InChIKey is FBGGBALLRSIRQT-DFWYDOINSA-N. The full InChI is InChI=1S/C6H10N4O2S.ClH/c1-3(7)5-9-10-6(12-5)13-2-4(8)11;/h3H,2,7H2,1H3,(H2,8,11);1H/t3-;/m0./s1.
What are the key properties of 2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride has a molecular weight of 238.70 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 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]acetamide;hydrochloride is sourced from PubChem (CID 16745845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).