4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one

C13H15NO2S — CID 19806759

IUPAC4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one
SMILESCCOc1c(-c2ccccc2)sn(CC)c1=O
InChIInChI=1S/C13H15NO2S/c1-3-14-13(15)11(16-4-2)12(17-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGBALTWCOIUWIKM-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.00
Rot. Bonds4

About 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one

4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one (PubChem CID 19806759) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one
PubChem CID19806759
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one
SMILESCCOc1c(-c2ccccc2)sn(CC)c1=O
InChIInChI=1S/C13H15NO2S/c1-3-14-13(15)11(16-4-2)12(17-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGBALTWCOIUWIKM-UHFFFAOYSA-N
XLogP3.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-ethoxy-1,5-dihydro-2H-pyrrol-2-one
CID 563187
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CID 154719967
5-Benzylidene-3-ethyl-2-thioxo-oxazolidin-4-one
CID 85589475
2-Ethyl-4-hydroxy-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one
CID 69503870
(5Z)-5-benzylidene-3-ethyl-1,3-oxazolidine-2,4-dione
CID 50918091
1-Allyl-3-(beta-dimethylaminoethoxy)-4-phenyl-3-pyrrolin-2-one
CID 20574340
1-n-Butyl-3-(beta-diethylaminoethoxy)-4-phenyl-3-pyrrolin-2-one
CID 20574341
1-Allyl-3-(beta-dimethylaminoethoxy)-4-phenyl-3-pyrrolin-2-one hydrochloride
CID 20574342
1-butyl-4-[2-(dimethylamino)ethoxy]-3-phenyl-2H-pyrrol-5-one
CID 20574361
5-Benzylidene-3-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 54120722
N-ethyl-N-hexyl-2-methoxy-3-phenylprop-2-enamide
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N-(2-methoxyacetyl)-N-methyl-3-phenylprop-2-enamide
CID 57080009

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one (CID 19806759) is 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one is CCOc1c(-c2ccccc2)sn(CC)c1=O.
What is the InChIKey of 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one?
The InChIKey is GBALTWCOIUWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-14-13(15)11(16-4-2)12(17-14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one?
4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one has a molecular weight of 249.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 19806759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).