2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride

C8H12ClNO2S — CID 67869484

IUPAC2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCc1nc(CC)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-3-5-7(8(10)11)12-6(4-2)9-5;/h3-4H2,1-2H3,(H,10,11);1H
InChIKeyJABNUIBYBWAATR-UHFFFAOYSA-N
MW221.71 g/mol
LogP2.39
Rot. Bonds3

About 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride

2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 67869484) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID67869484
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCc1nc(CC)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-3-5-7(8(10)11)12-6(4-2)9-5;/h3-4H2,1-2H3,(H,10,11);1H
InChIKeyJABNUIBYBWAATR-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 67869484) is 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride is CCc1nc(CC)c(C(=O)O)s1.Cl.
What is the InChIKey of 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is JABNUIBYBWAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-3-5-7(8(10)11)12-6(4-2)9-5;/h3-4H2,1-2H3,(H,10,11);1H.
What are the key properties of 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 67869484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).