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

C4H7ClN2OS — CID 66980831

IUPAC2H-1,3-thiazole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=CSC1
InChIInChI=1S/C4H6N2OS.ClH/c5-4(7)6-1-2-8-3-6;/h1-2H,3H2,(H2,5,7);1H
InChIKeyGHTSLLKSTXNJCR-UHFFFAOYSA-N
MW166.63 g/mol
LogP0.96
Rot. Bonds

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

2H-1,3-thiazole-3-carboxamide;hydrochloride (PubChem CID 66980831) has the molecular formula C4H7ClN2OS and a molecular weight of 166.63 g/mol. Its IUPAC name is 2H-1,3-thiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2H-1,3-thiazole-3-carboxamide;hydrochloride
PubChem CID66980831
Molecular FormulaC4H7ClN2OS
Molecular Weight166.63 g/mol
Exact Mass166.00
IUPAC Name2H-1,3-thiazole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C=CSC1
InChIInChI=1S/C4H6N2OS.ClH/c5-4(7)6-1-2-8-3-6;/h1-2H,3H2,(H2,5,7);1H
InChIKeyGHTSLLKSTXNJCR-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.63
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazole-3-carboxamide;hydrochloride?
The IUPAC name of 2H-1,3-thiazole-3-carboxamide;hydrochloride (CID 66980831) is 2H-1,3-thiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2H-1,3-thiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 2H-1,3-thiazole-3-carboxamide;hydrochloride is Cl.NC(=O)N1C=CSC1.
What is the InChIKey of 2H-1,3-thiazole-3-carboxamide;hydrochloride?
The InChIKey is GHTSLLKSTXNJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS.ClH/c5-4(7)6-1-2-8-3-6;/h1-2H,3H2,(H2,5,7);1H.
What are the key properties of 2H-1,3-thiazole-3-carboxamide;hydrochloride?
2H-1,3-thiazole-3-carboxamide;hydrochloride has a molecular weight of 166.63 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 66980831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).