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

C6H11ClN4O2S — CID 11957169

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESCl.NCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H10N4O2S.ClH/c7-2-1-5-9-10-6(12-5)13-3-4(8)11;/h1-3,7H2,(H2,8,11);1H
InChIKeyIULGFQDOFLAQQD-UHFFFAOYSA-N
MW238.70 g/mol
LogP-0.43
Rot. Bonds5

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

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (PubChem CID 11957169) has the molecular formula C6H11ClN4O2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
PubChem CID11957169
Molecular FormulaC6H11ClN4O2S
Molecular Weight238.70 g/mol
Exact Mass238.03
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride
SMILESCl.NCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C6H10N4O2S.ClH/c7-2-1-5-9-10-6(12-5)13-3-4(8)11;/h1-3,7H2,(H2,8,11);1H
InChIKeyIULGFQDOFLAQQD-UHFFFAOYSA-N
XLogP-0.43
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-diethylacetamide hydrochloride
CID 6602734
2-((5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride
CID 6603366
2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 16745845
2-(5-(Methylsulfanyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 933388
2-{[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1399170
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylacetamide
CID 663215
2-{[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-diethylacetamide
CID 663217
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 839807
2-[[5-(2-Aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53314636
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chloride
CID 53314800
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide chloride
CID 53314863
2-[[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide chloride
CID 53351358

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride (CID 11957169) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride is Cl.NCCc1nnc(SCC(N)=O)o1.
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
The InChIKey is IULGFQDOFLAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S.ClH/c7-2-1-5-9-10-6(12-5)13-3-4(8)11;/h1-3,7H2,(H2,8,11);1H.
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride has a molecular weight of 238.70 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 11957169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).