2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride

C4H5ClN2OS — CID 46738140

IUPAC2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride
SMILESCl.Nc1ncc(C=O)s1
InChIInChI=1S/C4H4N2OS.ClH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H
InChIKeyODWAZDCUJYHFPL-UHFFFAOYSA-N
MW164.62 g/mol
LogP0.96
Rot. Bonds1

About 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride

2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride (PubChem CID 46738140) has the molecular formula C4H5ClN2OS and a molecular weight of 164.62 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride
PubChem CID46738140
Molecular FormulaC4H5ClN2OS
Molecular Weight164.62 g/mol
Exact Mass163.98
IUPAC Name2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride
SMILESCl.Nc1ncc(C=O)s1
InChIInChI=1S/C4H4N2OS.ClH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H
InChIKeyODWAZDCUJYHFPL-UHFFFAOYSA-N
XLogP0.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.62
LogP ≤ 50.96
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-amino-1,3-thiazole-5-carbaldehyde;hydrochloride?
The IUPAC name of 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride (CID 46738140) is 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride?
The canonical SMILES for 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride is Cl.Nc1ncc(C=O)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride?
The InChIKey is ODWAZDCUJYHFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.ClH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H.
What are the key properties of 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride?
2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride has a molecular weight of 164.62 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 46738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).