2H-1,3-thiazole-3-carboxylic acid;hydrochloride

C4H6ClNO2S — CID 66980836

IUPAC2H-1,3-thiazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C=CSC1
InChIInChI=1S/C4H5NO2S.ClH/c6-4(7)5-1-2-8-3-5;/h1-2H,3H2,(H,6,7);1H
InChIKeyBUAHAZHDWHLQGA-UHFFFAOYSA-N
MW167.62 g/mol
LogP1.56
Rot. Bonds

About 2H-1,3-thiazole-3-carboxylic acid;hydrochloride

2H-1,3-thiazole-3-carboxylic acid;hydrochloride (PubChem CID 66980836) has the molecular formula C4H6ClNO2S and a molecular weight of 167.62 g/mol. Its IUPAC name is 2H-1,3-thiazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2H-1,3-thiazole-3-carboxylic acid;hydrochloride
PubChem CID66980836
Molecular FormulaC4H6ClNO2S
Molecular Weight167.62 g/mol
Exact Mass166.98
IUPAC Name2H-1,3-thiazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C=CSC1
InChIInChI=1S/C4H5NO2S.ClH/c6-4(7)5-1-2-8-3-5;/h1-2H,3H2,(H,6,7);1H
InChIKeyBUAHAZHDWHLQGA-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.62
LogP ≤ 51.56
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-carboxylic acid;hydrochloride?
The IUPAC name of 2H-1,3-thiazole-3-carboxylic acid;hydrochloride (CID 66980836) is 2H-1,3-thiazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2H-1,3-thiazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2H-1,3-thiazole-3-carboxylic acid;hydrochloride is Cl.O=C(O)N1C=CSC1.
What is the InChIKey of 2H-1,3-thiazole-3-carboxylic acid;hydrochloride?
The InChIKey is BUAHAZHDWHLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S.ClH/c6-4(7)5-1-2-8-3-5;/h1-2H,3H2,(H,6,7);1H.
What are the key properties of 2H-1,3-thiazole-3-carboxylic acid;hydrochloride?
2H-1,3-thiazole-3-carboxylic acid;hydrochloride has a molecular weight of 167.62 g/mol, XLogP of 1.56, 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-carboxylic acid;hydrochloride is sourced from PubChem (CID 66980836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).