[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

C16H15NO4S — CID 8837869

IUPAC[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)O[C@H]3CCOC3=O)cs2)cc1
InChIInChI=1S/C16H15NO4S/c1-2-10-3-5-11(6-4-10)14-17-12(9-22-14)15(18)21-13-7-8-20-16(13)19/h3-6,9,13H,2,7-8H2,1H3/t13-/m0/s1
InChIKeyUSOQLOKHNZTDGO-ZDUSSCGKSA-N
MW317.37 g/mol
LogP2.84
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8837869) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID8837869
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)O[C@H]3CCOC3=O)cs2)cc1
InChIInChI=1S/C16H15NO4S/c1-2-10-3-5-11(6-4-10)14-17-12(9-22-14)15(18)21-13-7-8-20-16(13)19/h3-6,9,13H,2,7-8H2,1H3/t13-/m0/s1
InChIKeyUSOQLOKHNZTDGO-ZDUSSCGKSA-N
XLogP2.84
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 39967444
[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 95568775
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
CID 2538214
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 11934034
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837935
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18193148
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24683154
(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate
CID 42918528

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (CID 8837869) is [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is CCc1ccc(-c2nc(C(=O)O[C@H]3CCOC3=O)cs2)cc1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is USOQLOKHNZTDGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-2-10-3-5-11(6-4-10)14-17-12(9-22-14)15(18)21-13-7-8-20-16(13)19/h3-6,9,13H,2,7-8H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8837869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).