2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde

C5H4N2O2S — CID 54218559

IUPAC2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde
SMILESNc1csc(C(=O)C=O)n1
InChIInChI=1S/C5H4N2O2S/c6-4-2-10-5(7-4)3(9)1-8/h1-2H,6H2
InChIKeyXULAPMQHDYBMLF-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.11
Rot. Bonds2

About 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde

2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde (PubChem CID 54218559) has the molecular formula C5H4N2O2S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde
PubChem CID54218559
Molecular FormulaC5H4N2O2S
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Name2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde
SMILESNc1csc(C(=O)C=O)n1
InChIInChI=1S/C5H4N2O2S/c6-4-2-10-5(7-4)3(9)1-8/h1-2H,6H2
InChIKeyXULAPMQHDYBMLF-UHFFFAOYSA-N
XLogP0.11
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde (CID 54218559) is 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde is Nc1csc(C(=O)C=O)n1.
What is the InChIKey of 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde?
The InChIKey is XULAPMQHDYBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S/c6-4-2-10-5(7-4)3(9)1-8/h1-2H,6H2.
What are the key properties of 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde?
2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde has a molecular weight of 156.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-thiazol-2-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 54218559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).