2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde

C5H6N2O2S — CID 90986204

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde
SMILESNC1=NC(=O)C(CC=O)S1
InChIInChI=1S/C5H6N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h2-3H,1H2,(H2,6,7,9)
InChIKeyZUOJOWCHWLSFGJ-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.47
Rot. Bonds2

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde

2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde (PubChem CID 90986204) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde
PubChem CID90986204
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde
SMILESNC1=NC(=O)C(CC=O)S1
InChIInChI=1S/C5H6N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h2-3H,1H2,(H2,6,7,9)
InChIKeyZUOJOWCHWLSFGJ-UHFFFAOYSA-N
XLogP-0.47
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde (CID 90986204) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde is NC1=NC(=O)C(CC=O)S1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde?
The InChIKey is ZUOJOWCHWLSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h2-3H,1H2,(H2,6,7,9).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde has a molecular weight of 158.18 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetaldehyde is sourced from PubChem (CID 90986204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).