ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate

C10H15NO3S — CID 129388918

IUPACethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@](C)(O)c1nc(CC)cs1
InChIInChI=1S/C10H15NO3S/c1-4-7-6-15-8(11-7)10(3,13)9(12)14-5-2/h6,13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyGGHJRUQXKJFCLW-SNVBAGLBSA-N
MW229.30 g/mol
LogP1.48
Rot. Bonds4

About ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate

ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate (PubChem CID 129388918) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
PubChem CID129388918
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@](C)(O)c1nc(CC)cs1
InChIInChI=1S/C10H15NO3S/c1-4-7-6-15-8(11-7)10(3,13)9(12)14-5-2/h6,13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyGGHJRUQXKJFCLW-SNVBAGLBSA-N
XLogP1.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate
CID 129388879
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
4-ethyl-2-(trifluoromethyl)-1,3-thiazole
CID 23533400
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
4-(4-ethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968711
ethyl 3,3-dicyano-2-[4-(3-methoxy-2,2-dimethylbut-3-enyl)-1,3-thiazol-2-yl]-2-methylpropanoate
CID 145341507
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate (CID 129388918) is ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate is CCOC(=O)[C@](C)(O)c1nc(CC)cs1.
What is the InChIKey of ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate?
The InChIKey is GGHJRUQXKJFCLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-7-6-15-8(11-7)10(3,13)9(12)14-5-2/h6,13H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate?
ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate has a molecular weight of 229.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate is sourced from PubChem (CID 129388918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).