ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate

C18H22N2O4S — CID 51030674

IUPACethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N=C(NC(C)=O)SC1c1ccc(OCC)cc1
InChIInChI=1S/C18H22N2O4S/c1-5-23-14-9-7-13(8-10-14)16-15(17(22)24-6-2)11(3)19-18(25-16)20-12(4)21/h7-10,16H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyZQARNPYRLCOYOT-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate

ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate (PubChem CID 51030674) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate
PubChem CID51030674
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N=C(NC(C)=O)SC1c1ccc(OCC)cc1
InChIInChI=1S/C18H22N2O4S/c1-5-23-14-9-7-13(8-10-14)16-15(17(22)24-6-2)11(3)19-18(25-16)20-12(4)21/h7-10,16H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyZQARNPYRLCOYOT-UHFFFAOYSA-N
XLogP3.20
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-acetamido-6-(4-chlorophenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate
CID 46931996
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
ethyl 5-acetamido-3-(4-methoxyphenyl)-2-methyl-2,3-dihydrothiophene-4-carboxylate
CID 70967319
methyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4164506
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
ethyl (2E,5S)-5-(4-chlorophenyl)-2-[(4-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124581938
ethyl (2Z,5S)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2251398
ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
CID 141237749
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208
ethyl (4R)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate
CID 6936940
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate (CID 51030674) is ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate is CCOC(=O)C1=C(C)N=C(NC(C)=O)SC1c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate?
The InChIKey is ZQARNPYRLCOYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-5-23-14-9-7-13(8-10-14)16-15(17(22)24-6-2)11(3)19-18(25-16)20-12(4)21/h7-10,16H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate?
ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-6-(4-ethoxyphenyl)-4-methyl-6H-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 51030674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).