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

C15H16N2O4S — CID 2537874

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-10-3-5-12(6-4-10)16-13(18)8-21-14(19)7-17-11(2)9-22-15(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyYLTOXSDFDHHDHA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.71
Rot. Bonds5

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

[2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 2537874) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID2537874
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-10-3-5-12(6-4-10)16-13(18)8-21-14(19)7-17-11(2)9-22-15(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyYLTOXSDFDHHDHA-UHFFFAOYSA-N
XLogP1.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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N-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)glycine
CID 658714
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 2433328
[2-(4-Methylanilino)-2-oxoethyl] 2-(morpholine-4-carbothioylsulfanyl)acetate
CID 2535981
{5-[(4-Methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
CID 2771084
[2-(2,4-Dimethylanilino)-2-oxoethyl] 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 16251223
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980306
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 24981565
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)acetamide
CID 4963578
[2-(Benzylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9166545

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 2537874) is [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is YLTOXSDFDHHDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-3-5-12(6-4-10)16-13(18)8-21-14(19)7-17-11(2)9-22-15(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 320.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 2537874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).