1-hydroxypyrazole;1,3-thiazol-2-amine

C6H8N4OS — CID 23172100

IUPAC1-hydroxypyrazole;1,3-thiazol-2-amine
SMILESNc1nccs1.On1cccn1
InChIInChI=1S/C3H4N2O.C3H4N2S/c6-5-3-1-2-4-5;4-3-5-1-2-6-3/h1-3,6H;1-2H,(H2,4,5)
InChIKeySDNLCNUVIHBLPH-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.85
Rot. Bonds

About 1-hydroxypyrazole;1,3-thiazol-2-amine

1-hydroxypyrazole;1,3-thiazol-2-amine (PubChem CID 23172100) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-hydroxypyrazole;1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-hydroxypyrazole;1,3-thiazol-2-amine
PubChem CID23172100
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name1-hydroxypyrazole;1,3-thiazol-2-amine
SMILESNc1nccs1.On1cccn1
InChIInChI=1S/C3H4N2O.C3H4N2S/c6-5-3-1-2-4-5;4-3-5-1-2-6-3/h1-3,6H;1-2H,(H2,4,5)
InChIKeySDNLCNUVIHBLPH-UHFFFAOYSA-N
XLogP0.85
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrazole;1,3-thiazol-2-amine?
The IUPAC name of 1-hydroxypyrazole;1,3-thiazol-2-amine (CID 23172100) is 1-hydroxypyrazole;1,3-thiazol-2-amine.
What is the SMILES notation for 1-hydroxypyrazole;1,3-thiazol-2-amine?
The canonical SMILES for 1-hydroxypyrazole;1,3-thiazol-2-amine is Nc1nccs1.On1cccn1.
What is the InChIKey of 1-hydroxypyrazole;1,3-thiazol-2-amine?
The InChIKey is SDNLCNUVIHBLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H4N2S/c6-5-3-1-2-4-5;4-3-5-1-2-6-3/h1-3,6H;1-2H,(H2,4,5).
What are the key properties of 1-hydroxypyrazole;1,3-thiazol-2-amine?
1-hydroxypyrazole;1,3-thiazol-2-amine has a molecular weight of 184.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrazole;1,3-thiazol-2-amine is sourced from PubChem (CID 23172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).