1,3-thiazole-2-carboxamide;hydrochloride

C4H5ClN2OS — CID 21256847

IUPAC1,3-thiazole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nccs1
InChIInChI=1S/C4H4N2OS.ClH/c5-3(7)4-6-1-2-8-4;/h1-2H,(H2,5,7);1H
InChIKeyPGDPAXPJJNAPGC-UHFFFAOYSA-N
MW164.62 g/mol
LogP0.66
Rot. Bonds1

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

1,3-thiazole-2-carboxamide;hydrochloride (PubChem CID 21256847) has the molecular formula C4H5ClN2OS and a molecular weight of 164.62 g/mol. Its IUPAC name is 1,3-thiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-2-carboxamide;hydrochloride
PubChem CID21256847
Molecular FormulaC4H5ClN2OS
Molecular Weight164.62 g/mol
Exact Mass163.98
IUPAC Name1,3-thiazole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nccs1
InChIInChI=1S/C4H4N2OS.ClH/c5-3(7)4-6-1-2-8-4;/h1-2H,(H2,5,7);1H
InChIKeyPGDPAXPJJNAPGC-UHFFFAOYSA-N
XLogP0.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.62
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carboxamide;hydrochloride?
The IUPAC name of 1,3-thiazole-2-carboxamide;hydrochloride (CID 21256847) is 1,3-thiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-thiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 1,3-thiazole-2-carboxamide;hydrochloride is Cl.NC(=O)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-carboxamide;hydrochloride?
The InChIKey is PGDPAXPJJNAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.ClH/c5-3(7)4-6-1-2-8-4;/h1-2H,(H2,5,7);1H.
What are the key properties of 1,3-thiazole-2-carboxamide;hydrochloride?
1,3-thiazole-2-carboxamide;hydrochloride has a molecular weight of 164.62 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 21256847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).