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

C7H10ClNO2S — CID 67897938

IUPAC4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCc1nc(C)sc1C(=O)O.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-3-5-6(7(9)10)11-4(2)8-5;/h3H2,1-2H3,(H,9,10);1H
InChIKeyYVNNSUOSVGVIGG-UHFFFAOYSA-N
MW207.68 g/mol
LogP2.13
Rot. Bonds2

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

4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 67897938) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID67897938
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCc1nc(C)sc1C(=O)O.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-3-5-6(7(9)10)11-4(2)8-5;/h3H2,1-2H3,(H,9,10);1H
InChIKeyYVNNSUOSVGVIGG-UHFFFAOYSA-N
XLogP2.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 67897938) is 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is CCc1nc(C)sc1C(=O)O.Cl.
What is the InChIKey of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is YVNNSUOSVGVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-3-5-6(7(9)10)11-4(2)8-5;/h3H2,1-2H3,(H,9,10);1H.
What are the key properties of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 67897938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).