[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C16H17FN2O4S — CID 25161562

IUPAC[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-10-9-24-16(22)19(10)7-15(21)23-8-14(20)18-11(2)12-3-5-13(17)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,20)
InChIKeyHUYQQCCZLDZIOM-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.78
Rot. Bonds6

About [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 25161562) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID25161562
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-10-9-24-16(22)19(10)7-15(21)23-8-14(20)18-11(2)12-3-5-13(17)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,20)
InChIKeyHUYQQCCZLDZIOM-UHFFFAOYSA-N
XLogP1.78
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

[1-(Benzylamino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 16278239
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
CID 2999545
[2-(3-Methylbutan-2-ylamino)-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 5025384
[(1-Phenylethyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
CID 16332908
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24687199
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980189
[2-(Benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9166545
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16251338
[2-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-benzylsulfanylacetate
CID 4081289
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602200
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163721

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 25161562) is [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is HUYQQCCZLDZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-10-9-24-16(22)19(10)7-15(21)23-8-14(20)18-11(2)12-3-5-13(17)6-4-12/h3-6,9,11H,7-8H2,1-2H3,(H,18,20).
What are the key properties of [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 352.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 25161562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).