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

C16H17FN2O3S — CID 141237709

IUPACethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)SC(NC(C)=O)N=C1C
InChIInChI=1S/C16H17FN2O3S/c1-4-22-15(21)13-9(2)18-16(19-10(3)20)23-14(13)11-5-7-12(17)8-6-11/h5-8,16H,4H2,1-3H3,(H,19,20)
InChIKeyAPHTVVQCTYUPCD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.73
Rot. Bonds4

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

ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate (PubChem CID 141237709) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
PubChem CID141237709
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Nameethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(F)cc2)SC(NC(C)=O)N=C1C
InChIInChI=1S/C16H17FN2O3S/c1-4-22-15(21)13-9(2)18-16(19-10(3)20)23-14(13)11-5-7-12(17)8-6-11/h5-8,16H,4H2,1-3H3,(H,19,20)
InChIKeyAPHTVVQCTYUPCD-UHFFFAOYSA-N
XLogP2.73
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
CID 141237702
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-(3,4-dimethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237720
ethyl 3-ethyl-6-(4-fluorophenyl)-4-oxo-2,3-dihydropyran-5-carboxylate
CID 20550484
ethyl 5-(4-fluorophenyl)-1-(3-hydroxypropyl)triazole-4-carboxylate
CID 103105463
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
ethyl 5-(4-fluorophenyl)-1-propyltriazole-4-carboxylate
CID 103105470
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 1-(2,2-difluoroethyl)-5-(4-fluorophenyl)triazole-4-carboxylate
CID 103105468
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate (CID 141237709) is ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate is CCOC(=O)C1=C(c2ccc(F)cc2)SC(NC(C)=O)N=C1C.
What is the InChIKey of ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The InChIKey is APHTVVQCTYUPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-4-22-15(21)13-9(2)18-16(19-10(3)20)23-14(13)11-5-7-12(17)8-6-11/h5-8,16H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 141237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).