1,3-thiazole-4-carboximidamide;hydrochloride

C4H6ClN3S — CID 75421024

IUPAC1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cscn1
InChIInChI=1S/C4H5N3S.ClH/c5-4(6)3-1-8-2-7-3;/h1-2H,(H3,5,6);1H
InChIKeyGKHHZMVPSXPVKK-UHFFFAOYSA-N
MW163.63 g/mol
LogP0.85
Rot. Bonds1

About 1,3-thiazole-4-carboximidamide;hydrochloride

1,3-thiazole-4-carboximidamide;hydrochloride (PubChem CID 75421024) has the molecular formula C4H6ClN3S and a molecular weight of 163.63 g/mol. Its IUPAC name is 1,3-thiazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-4-carboximidamide;hydrochloride
PubChem CID75421024
Molecular FormulaC4H6ClN3S
Molecular Weight163.63 g/mol
Exact Mass163.00
IUPAC Name1,3-thiazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cscn1
InChIInChI=1S/C4H5N3S.ClH/c5-4(6)3-1-8-2-7-3;/h1-2H,(H3,5,6);1H
InChIKeyGKHHZMVPSXPVKK-UHFFFAOYSA-N
XLogP0.85
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-4-carboximidamide;hydrochloride?
The IUPAC name of 1,3-thiazole-4-carboximidamide;hydrochloride (CID 75421024) is 1,3-thiazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 1,3-thiazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 1,3-thiazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cscn1.
What is the InChIKey of 1,3-thiazole-4-carboximidamide;hydrochloride?
The InChIKey is GKHHZMVPSXPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S.ClH/c5-4(6)3-1-8-2-7-3;/h1-2H,(H3,5,6);1H.
What are the key properties of 1,3-thiazole-4-carboximidamide;hydrochloride?
1,3-thiazole-4-carboximidamide;hydrochloride has a molecular weight of 163.63 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 75421024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).