(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

C18H15NO3S2 — CID 8837935

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OCC(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C18H15NO3S2/c1-2-12-5-7-13(8-6-12)17-19-14(11-24-17)18(21)22-10-15(20)16-4-3-9-23-16/h3-9,11H,2,10H2,1H3
InChIKeyQIBLRCYZZURHBT-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.47
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8837935) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID8837935
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OCC(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C18H15NO3S2/c1-2-12-5-7-13(8-6-12)17-19-14(11-24-17)18(21)22-10-15(20)16-4-3-9-23-16/h3-9,11H,2,10H2,1H3
InChIKeyQIBLRCYZZURHBT-UHFFFAOYSA-N
XLogP4.47
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837942
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
[2-(tert-butylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837968
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838094
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838113
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837950
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 8807138
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837872
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9134946
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (CID 8837935) is (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is CCc1ccc(-c2nc(C(=O)OCC(=O)c3cccs3)cs2)cc1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QIBLRCYZZURHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-2-12-5-7-13(8-6-12)17-19-14(11-24-17)18(21)22-10-15(20)16-4-3-9-23-16/h3-9,11H,2,10H2,1H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8837935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).