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

C17H20N2O3S — CID 141237702

IUPACethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C)cc2)SC(NC(C)=O)N=C1C
InChIInChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(3)18-17(19-12(4)20)23-15(14)13-8-6-10(2)7-9-13/h6-9,17H,5H2,1-4H3,(H,19,20)
InChIKeyWOPAPDANOASSGG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.90
Rot. Bonds4

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

ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate (PubChem CID 141237702) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
PubChem CID141237702
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(C)cc2)SC(NC(C)=O)N=C1C
InChIInChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(3)18-17(19-12(4)20)23-15(14)13-8-6-10(2)7-9-13/h6-9,17H,5H2,1-4H3,(H,19,20)
InChIKeyWOPAPDANOASSGG-UHFFFAOYSA-N
XLogP2.90
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237709
ethyl 2-acetamido-6-[4-(dimethylamino)phenyl]-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237729
ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237695
ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
CID 141237749
ethyl 2-amino-6-[4-(dimethylamino)phenyl]-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
CID 141237724
ethyl 2-amino-6-(3,4-dimethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237720
ethyl 2-(4-methylphenyl)-4,5-dioxofuran-3-carboxylate
CID 116851673
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
CID 135819069
ethyl 2-(2-acetylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144335
diethyl (5S,6R)-6-acetamido-3,5-diethylcyclohexa-1,3-diene-1,2-dicarboxylate
CID 12046736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate (CID 141237702) is ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate is CCOC(=O)C1=C(c2ccc(C)cc2)SC(NC(C)=O)N=C1C.
What is the InChIKey of ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate?
The InChIKey is WOPAPDANOASSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(3)18-17(19-12(4)20)23-15(14)13-8-6-10(2)7-9-13/h6-9,17H,5H2,1-4H3,(H,19,20).
What are the key properties of ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate?
ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 141237702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).