[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

C19H24N2O4S — CID 8958184

IUPAC[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)NCCOC)cs2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-14-5-7-15(8-6-14)19-21-16(12-26-19)11-17(22)25-13(2)18(23)20-9-10-24-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyWKWQJKNSIRAMIM-ZDUSSCGKSA-N
MW376.48 g/mol
LogP2.61
Rot. Bonds9

About [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8958184) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8958184
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)NCCOC)cs2)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-14-5-7-15(8-6-14)19-21-16(12-26-19)11-17(22)25-13(2)18(23)20-9-10-24-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyWKWQJKNSIRAMIM-ZDUSSCGKSA-N
XLogP2.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610010
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307468
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997632
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815667
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129846
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307368
[(2S)-1-amino-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815942
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920212
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815864
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997652
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9309925

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (CID 8958184) is [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is CCc1ccc(-c2nc(CC(=O)O[C@@H](C)C(=O)NCCOC)cs2)cc1.
What is the InChIKey of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is WKWQJKNSIRAMIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-14-5-7-15(8-6-14)19-21-16(12-26-19)11-17(22)25-13(2)18(23)20-9-10-24-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 376.48 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8958184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).