2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid

C13H13NO2S — CID 39349792

IUPAC2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2ncsc2CC(=O)O)cc1
InChIInChI=1S/C13H13NO2S/c1-2-9-3-5-10(6-4-9)13-11(7-12(15)16)17-8-14-13/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyQYXXGNVYHRSROC-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 39349792) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID39349792
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCc1ccc(-c2ncsc2CC(=O)O)cc1
InChIInChI=1S/C13H13NO2S/c1-2-9-3-5-10(6-4-9)13-11(7-12(15)16)17-8-14-13/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyQYXXGNVYHRSROC-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
2-[4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39418910
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[4-(4-ethylphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetic acid
CID 23770800
2-[2-(4-butoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 20993428
5-(carboxymethyl)-1,3-thiazole-4-carboxylic acid
CID 82405580
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
2-[4-(5-ethyl-1,3-oxazol-4-yl)phenyl]acetic acid
CID 105489126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 39349792) is 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is CCc1ccc(-c2ncsc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QYXXGNVYHRSROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-2-9-3-5-10(6-4-9)13-11(7-12(15)16)17-8-14-13/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 247.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39349792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).