3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid

C8H11NO2S — CID 39237748

IUPAC3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
SMILESCCc1csc(CCC(=O)O)n1
InChIInChI=1S/C8H11NO2S/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyVONALYBOGSBLMW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.72
Rot. Bonds4

About 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid

3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 39237748) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID39237748
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
SMILESCCc1csc(CCC(=O)O)n1
InChIInChI=1S/C8H11NO2S/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyVONALYBOGSBLMW-UHFFFAOYSA-N
XLogP1.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethyl-1,3-thiazol-2-yl)propanoic 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

3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
3-(4-bromo-1,3-thiazol-2-yl)propanoic acid
CID 83692808
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
4-(4-ethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968711
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 94284207
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid (CID 39237748) is 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid is CCc1csc(CCC(=O)O)n1.
What is the InChIKey of 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is VONALYBOGSBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid?
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 39237748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).