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

C4H7N3OS — CID 155238388

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
SMILESCc1noc(CNS)n1
InChIInChI=1S/C4H7N3OS/c1-3-6-4(2-5-9)8-7-3/h5,9H,2H2,1H3
InChIKeyHZRIJVOFKDWTJA-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.31
Rot. Bonds2

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine (PubChem CID 155238388) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
PubChem CID155238388
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
SMILESCc1noc(CNS)n1
InChIInChI=1S/C4H7N3OS/c1-3-6-4(2-5-9)8-7-3/h5,9H,2H2,1H3
InChIKeyHZRIJVOFKDWTJA-UHFFFAOYSA-N
XLogP0.31
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.31
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-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 61014456
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine (CID 155238388) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine is Cc1noc(CNS)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine?
The InChIKey is HZRIJVOFKDWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-3-6-4(2-5-9)8-7-3/h5,9H,2H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine has a molecular weight of 145.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine is sourced from PubChem (CID 155238388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).