1,2-oxazol-3-ylmethylsulfanylmethanamine

C5H8N2OS — CID 23334133

IUPAC1,2-oxazol-3-ylmethylsulfanylmethanamine
SMILESNCSCc1ccon1
InChIInChI=1S/C5H8N2OS/c6-4-9-3-5-1-2-8-7-5/h1-2H,3-4,6H2
InChIKeyIFMLAJLNFMKJDX-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.82
Rot. Bonds3

About 1,2-oxazol-3-ylmethylsulfanylmethanamine

1,2-oxazol-3-ylmethylsulfanylmethanamine (PubChem CID 23334133) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethylsulfanylmethanamine.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethylsulfanylmethanamine
PubChem CID23334133
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1,2-oxazol-3-ylmethylsulfanylmethanamine
SMILESNCSCc1ccon1
InChIInChI=1S/C5H8N2OS/c6-4-9-3-5-1-2-8-7-5/h1-2H,3-4,6H2
InChIKeyIFMLAJLNFMKJDX-UHFFFAOYSA-N
XLogP0.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethylsulfanylmethanamine?
The IUPAC name of 1,2-oxazol-3-ylmethylsulfanylmethanamine (CID 23334133) is 1,2-oxazol-3-ylmethylsulfanylmethanamine.
What is the SMILES notation for 1,2-oxazol-3-ylmethylsulfanylmethanamine?
The canonical SMILES for 1,2-oxazol-3-ylmethylsulfanylmethanamine is NCSCc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethylsulfanylmethanamine?
The InChIKey is IFMLAJLNFMKJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-4-9-3-5-1-2-8-7-5/h1-2H,3-4,6H2.
What are the key properties of 1,2-oxazol-3-ylmethylsulfanylmethanamine?
1,2-oxazol-3-ylmethylsulfanylmethanamine has a molecular weight of 144.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethylsulfanylmethanamine is sourced from PubChem (CID 23334133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).