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

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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).