2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine

C6H10N2OS — CID 12923417

IUPAC2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine
SMILESNCCSCc1ccon1
InChIInChI=1S/C6H10N2OS/c7-2-4-10-5-6-1-3-9-8-6/h1,3H,2,4-5,7H2
InChIKeyZBHYOVVCRWKPHZ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.87
Rot. Bonds4

About 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine

2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine (PubChem CID 12923417) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine
PubChem CID12923417
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine
SMILESNCCSCc1ccon1
InChIInChI=1S/C6H10N2OS/c7-2-4-10-5-6-1-3-9-8-6/h1,3H,2,4-5,7H2
InChIKeyZBHYOVVCRWKPHZ-UHFFFAOYSA-N
XLogP0.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine (CID 12923417) is 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine is NCCSCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine?
The InChIKey is ZBHYOVVCRWKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-2-4-10-5-6-1-3-9-8-6/h1,3H,2,4-5,7H2.
What are the key properties of 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine?
2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine has a molecular weight of 158.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 12923417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).