1,2-thiazol-4-yloxymethanamine

C4H6N2OS — CID 117230046

IUPAC1,2-thiazol-4-yloxymethanamine
SMILESNCOc1cnsc1
InChIInChI=1S/C4H6N2OS/c5-3-7-4-1-6-8-2-4/h1-2H,3,5H2
InChIKeyVNGWNTKYNJKFPA-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.44
Rot. Bonds2

About 1,2-thiazol-4-yloxymethanamine

1,2-thiazol-4-yloxymethanamine (PubChem CID 117230046) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 1,2-thiazol-4-yloxymethanamine.

Molecular Properties

Compound Name1,2-thiazol-4-yloxymethanamine
PubChem CID117230046
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name1,2-thiazol-4-yloxymethanamine
SMILESNCOc1cnsc1
InChIInChI=1S/C4H6N2OS/c5-3-7-4-1-6-8-2-4/h1-2H,3,5H2
InChIKeyVNGWNTKYNJKFPA-UHFFFAOYSA-N
XLogP0.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.44
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-thiazol-4-yloxymethanamine?
The IUPAC name of 1,2-thiazol-4-yloxymethanamine (CID 117230046) is 1,2-thiazol-4-yloxymethanamine.
What is the SMILES notation for 1,2-thiazol-4-yloxymethanamine?
The canonical SMILES for 1,2-thiazol-4-yloxymethanamine is NCOc1cnsc1.
What is the InChIKey of 1,2-thiazol-4-yloxymethanamine?
The InChIKey is VNGWNTKYNJKFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c5-3-7-4-1-6-8-2-4/h1-2H,3,5H2.
What are the key properties of 1,2-thiazol-4-yloxymethanamine?
1,2-thiazol-4-yloxymethanamine has a molecular weight of 130.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-4-yloxymethanamine is sourced from PubChem (CID 117230046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).