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

C15H16N2O5S — CID 25163838

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cn2c(C)csc2=O)c1
InChIInChI=1S/C15H16N2O5S/c1-10-9-23-15(20)17(10)7-14(19)22-8-13(18)16-11-4-3-5-12(6-11)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyZEFYGZDHIPUXKK-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.41
Rot. Bonds6

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

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 25163838) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID25163838
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cn2c(C)csc2=O)c1
InChIInChI=1S/C15H16N2O5S/c1-10-9-23-15(20)17(10)7-14(19)22-8-13(18)16-11-4-3-5-12(6-11)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyZEFYGZDHIPUXKK-UHFFFAOYSA-N
XLogP1.41
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 25163838) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is COc1cccc(NC(=O)COC(=O)Cn2c(C)csc2=O)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is ZEFYGZDHIPUXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-10-9-23-15(20)17(10)7-14(19)22-8-13(18)16-11-4-3-5-12(6-11)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 336.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 25163838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).