ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate

C8H11NO3S — CID 64990582

IUPACethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(O)c1nccs1
InChIInChI=1S/C8H11NO3S/c1-3-12-7(10)8(2,11)6-9-4-5-13-6/h4-5,11H,3H2,1-2H3
InChIKeyKNHKQXWKKXCRDA-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate

ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64990582) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64990582
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Nameethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(O)c1nccs1
InChIInChI=1S/C8H11NO3S/c1-3-12-7(10)8(2,11)6-9-4-5-13-6/h4-5,11H,3H2,1-2H3
InChIKeyKNHKQXWKKXCRDA-UHFFFAOYSA-N
XLogP0.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate (CID 64990582) is ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(C)(O)c1nccs1.
What is the InChIKey of ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is KNHKQXWKKXCRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-12-7(10)8(2,11)6-9-4-5-13-6/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate?
ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 201.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64990582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).