[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate

C15H16N2O3S — CID 75412679

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O3S/c1-10-3-5-12(6-4-10)15-17-13(9-21-15)8-20-14(19)7-16-11(2)18/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyANEUGNBHTOMPJB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.30
Rot. Bonds5

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate (PubChem CID 75412679) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
PubChem CID75412679
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O3S/c1-10-3-5-12(6-4-10)15-17-13(9-21-15)8-20-14(19)7-16-11(2)18/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyANEUGNBHTOMPJB-UHFFFAOYSA-N
XLogP2.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885532
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 8852774
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886045

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate (CID 75412679) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate is CC(=O)NCC(=O)OCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate?
The InChIKey is ANEUGNBHTOMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-3-5-12(6-4-10)15-17-13(9-21-15)8-20-14(19)7-16-11(2)18/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate has a molecular weight of 304.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate is sourced from PubChem (CID 75412679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).