1,3-thiazole-2-carbaldehyde;hydrochloride

C4H4ClNOS — CID 71627052

IUPAC1,3-thiazole-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.ClH/c6-3-4-5-1-2-7-4;/h1-3H;1H
InChIKeyWUZZCPJMCLFPFL-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.38
Rot. Bonds1

About 1,3-thiazole-2-carbaldehyde;hydrochloride

1,3-thiazole-2-carbaldehyde;hydrochloride (PubChem CID 71627052) has the molecular formula C4H4ClNOS and a molecular weight of 149.60 g/mol. Its IUPAC name is 1,3-thiazole-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-2-carbaldehyde;hydrochloride
PubChem CID71627052
Molecular FormulaC4H4ClNOS
Molecular Weight149.60 g/mol
Exact Mass148.97
IUPAC Name1,3-thiazole-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.ClH/c6-3-4-5-1-2-7-4;/h1-3H;1H
InChIKeyWUZZCPJMCLFPFL-UHFFFAOYSA-N
XLogP1.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carbaldehyde;hydrochloride?
The IUPAC name of 1,3-thiazole-2-carbaldehyde;hydrochloride (CID 71627052) is 1,3-thiazole-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 1,3-thiazole-2-carbaldehyde;hydrochloride?
The canonical SMILES for 1,3-thiazole-2-carbaldehyde;hydrochloride is Cl.O=Cc1nccs1.
What is the InChIKey of 1,3-thiazole-2-carbaldehyde;hydrochloride?
The InChIKey is WUZZCPJMCLFPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS.ClH/c6-3-4-5-1-2-7-4;/h1-3H;1H.
What are the key properties of 1,3-thiazole-2-carbaldehyde;hydrochloride?
1,3-thiazole-2-carbaldehyde;hydrochloride has a molecular weight of 149.60 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 71627052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).