5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde

C7H4N2O2S — CID 13105853

IUPAC5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde
SMILESO=Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H4N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-4H
InChIKeyDXBNAHSZMLBRKL-UHFFFAOYSA-N
MW180.19 g/mol
LogP0.57
Rot. Bonds1

About 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde (PubChem CID 13105853) has the molecular formula C7H4N2O2S and a molecular weight of 180.19 g/mol. Its IUPAC name is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde
PubChem CID13105853
Molecular FormulaC7H4N2O2S
Molecular Weight180.19 g/mol
Exact Mass180.00
IUPAC Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde
SMILESO=Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C7H4N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-4H
InChIKeyDXBNAHSZMLBRKL-UHFFFAOYSA-N
XLogP0.57
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde?
The IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde (CID 13105853) is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde?
The canonical SMILES for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde is O=Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde?
The InChIKey is DXBNAHSZMLBRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-4H.
What are the key properties of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde?
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde has a molecular weight of 180.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 13105853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).