N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine

C5H9N3OS — CID 155439756

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
SMILESCc1noc(CCNS)n1
InChIInChI=1S/C5H9N3OS/c1-4-7-5(9-8-4)2-3-6-10/h6,10H,2-3H2,1H3
InChIKeyKCVIQLIZFYGKIE-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.35
Rot. Bonds3

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine (PubChem CID 155439756) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
PubChem CID155439756
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
SMILESCc1noc(CCNS)n1
InChIInChI=1S/C5H9N3OS/c1-4-7-5(9-8-4)2-3-6-10/h6,10H,2-3H2,1H3
InChIKeyKCVIQLIZFYGKIE-UHFFFAOYSA-N
XLogP0.35
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
3-methyl-5-(2-methylsulfanylethyl)-1,2,4-oxadiazole
CID 130670162
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propylguanidine
CID 111226917

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine (CID 155439756) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine is Cc1noc(CCNS)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine?
The InChIKey is KCVIQLIZFYGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-4-7-5(9-8-4)2-3-6-10/h6,10H,2-3H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine has a molecular weight of 159.21 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine is sourced from PubChem (CID 155439756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).