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

C14H16N2O3S — CID 141237695

IUPACethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(O)cc2)SC(N)N=C1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)16-14(15)20-12(11)9-4-6-10(17)7-5-9/h4-7,14,17H,3,15H2,1-2H3
InChIKeySZMDMIKDGXTNCK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.12
Rot. Bonds3

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

ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate (PubChem CID 141237695) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
PubChem CID141237695
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(O)cc2)SC(N)N=C1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)16-14(15)20-12(11)9-4-6-10(17)7-5-9/h4-7,14,17H,3,15H2,1-2H3
InChIKeySZMDMIKDGXTNCK-UHFFFAOYSA-N
XLogP2.12
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
CID 141237702
2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid
CID 141276401
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 5-(4-hydroxyphenyl)thiadiazole-4-carboxylate
CID 135819069
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 4-hydroxybenzoate;bis(4-hydroxybenzoic acid)
CID 162068565
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The IUPAC name of ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate (CID 141237695) is ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate is CCOC(=O)C1=C(c2ccc(O)cc2)SC(N)N=C1C.
What is the InChIKey of ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
The InChIKey is SZMDMIKDGXTNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)16-14(15)20-12(11)9-4-6-10(17)7-5-9/h4-7,14,17H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate?
ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate is sourced from PubChem (CID 141237695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).