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

C16H21ClN2O3S — CID 141237749

IUPACethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(c2ccc(OCC)cc2)SC(N)N=C1C.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-4-20-12-8-6-11(7-9-12)14-13(15(19)21-5-2)10(3)18-16(17)22-14;/h6-9,16H,4-5,17H2,1-3H3;1H
InChIKeyZAFHCVXLJUDFAF-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.23
Rot. Bonds5

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

ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride (PubChem CID 141237749) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
PubChem CID141237749
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Nameethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(c2ccc(OCC)cc2)SC(N)N=C1C.Cl
InChIInChI=1S/C16H20N2O3S.ClH/c1-4-20-12-8-6-11(7-9-12)14-13(15(19)21-5-2)10(3)18-16(17)22-14;/h6-9,16H,4-5,17H2,1-3H3;1H
InChIKeyZAFHCVXLJUDFAF-UHFFFAOYSA-N
XLogP3.23
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237695
ethyl 2-amino-6-(3,4-dimethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237720
ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
CID 141237702
methyl 2-amino-4-methyl-6-(4-nitrophenyl)-2H-1,3-thiazine-5-carboxylate
CID 141237700
ethyl 2-acetamido-6-(4-fluorophenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
CID 141237709
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
CID 94273700
4-(4-ethoxyphenyl)benzamide
CID 163572533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride (CID 141237749) is ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride is CCOC(=O)C1=C(c2ccc(OCC)cc2)SC(N)N=C1C.Cl.
What is the InChIKey of ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride?
The InChIKey is ZAFHCVXLJUDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S.ClH/c1-4-20-12-8-6-11(7-9-12)14-13(15(19)21-5-2)10(3)18-16(17)22-14;/h6-9,16H,4-5,17H2,1-3H3;1H.
What are the key properties of ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride?
ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride is sourced from PubChem (CID 141237749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).