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

C8H11NO3S — CID 12839817

IUPACethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCCOC(=O)CCn1ccsc1=O
InChIInChI=1S/C8H11NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h5-6H,2-4H2,1H3
InChIKeyICELGAJEVVTCCF-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.86
Rot. Bonds4

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

ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 12839817) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID12839817
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Nameethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCCOC(=O)CCn1ccsc1=O
InChIInChI=1S/C8H11NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h5-6H,2-4H2,1H3
InChIKeyICELGAJEVVTCCF-UHFFFAOYSA-N
XLogP0.86
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate (CID 12839817) is ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate is CCOC(=O)CCn1ccsc1=O.
What is the InChIKey of ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is ICELGAJEVVTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 201.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 12839817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).