2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride

C13H14ClNO2S — CID 18593828

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCCc1ccc(-c2nc(CC(=O)O)cs2)cc1.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-2-9-3-5-10(6-4-9)13-14-11(8-17-13)7-12(15)16;/h3-6,8H,2,7H2,1H3,(H,15,16);1H
InChIKeyDGPXEFVDGCRHOD-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (PubChem CID 18593828) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
PubChem CID18593828
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
SMILESCCc1ccc(-c2nc(CC(=O)O)cs2)cc1.Cl
InChIInChI=1S/C13H13NO2S.ClH/c1-2-9-3-5-10(6-4-9)13-14-11(8-17-13)7-12(15)16;/h3-6,8H,2,7H2,1H3,(H,15,16);1H
InChIKeyDGPXEFVDGCRHOD-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]propanoic acid
CID 119232469
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112772042
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 62345779
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride (CID 18593828) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is CCc1ccc(-c2nc(CC(=O)O)cs2)cc1.Cl.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
The InChIKey is DGPXEFVDGCRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S.ClH/c1-2-9-3-5-10(6-4-9)13-14-11(8-17-13)7-12(15)16;/h3-6,8H,2,7H2,1H3,(H,15,16);1H.
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 18593828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).