5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde

C5H5NO2S — CID 126719503

IUPAC5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(CO)s1
InChIInChI=1S/C5H5NO2S/c7-2-4-1-6-5(3-8)9-4/h1,3,7H,2H2
InChIKeyWANZVHFMOKHMOV-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.45
Rot. Bonds2

About 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde

5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 126719503) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID126719503
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(CO)s1
InChIInChI=1S/C5H5NO2S/c7-2-4-1-6-5(3-8)9-4/h1,3,7H,2H2
InChIKeyWANZVHFMOKHMOV-UHFFFAOYSA-N
XLogP0.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.45
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 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde (CID 126719503) is 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is WANZVHFMOKHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-2-4-1-6-5(3-8)9-4/h1,3,7H,2H2.
What are the key properties of 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde?
5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 143.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 126719503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).