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

C15H16N2O4S — CID 9166545

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-11-10-22-15(20)17(11)8-14(19)21-9-13(18)16-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,18)
InChIKeyWDIIKWWHZOCMTB-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.08
Rot. Bonds6

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

[2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9166545) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9166545
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-11-10-22-15(20)17(11)8-14(19)21-9-13(18)16-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,18)
InChIKeyWDIIKWWHZOCMTB-UHFFFAOYSA-N
XLogP1.08
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
[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] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24687765
[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-(4-Methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537874
Ethyl oxo[(1-phenylethyl)amino]acetate
CID 3138898
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602200
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687465
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163721
[2-(3,4-Dimethylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 2537876

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9166545) is [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is WDIIKWWHZOCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-10-22-15(20)17(11)8-14(19)21-9-13(18)16-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,16,18).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 320.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9166545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).