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

C14H16N2O3S — CID 141276401

IUPAC2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid
SMILESCCc1cc(C2=C(C(=O)O)C(C)=NC(N)S2)ccc1O
InChIInChI=1S/C14H16N2O3S/c1-3-8-6-9(4-5-10(8)17)12-11(13(18)19)7(2)16-14(15)20-12/h4-6,14,17H,3,15H2,1-2H3,(H,18,19)
InChIKeyZQSJZWWXLWPIMJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.20
Rot. Bonds3

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

2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid (PubChem CID 141276401) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid
PubChem CID141276401
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid
SMILESCCc1cc(C2=C(C(=O)O)C(C)=NC(N)S2)ccc1O
InChIInChI=1S/C14H16N2O3S/c1-3-8-6-9(4-5-10(8)17)12-11(13(18)19)7(2)16-14(15)20-12/h4-6,14,17H,3,15H2,1-2H3,(H,18,19)
InChIKeyZQSJZWWXLWPIMJ-UHFFFAOYSA-N
XLogP2.20
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-amino-6-(4-ethoxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylate;hydrochloride
CID 141237749
6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 174420706
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443
ethyl 2-acetamido-4-methyl-6-(4-methylphenyl)-2H-1,3-thiazine-5-carboxylate
CID 141237702
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
ethyl 4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-hydroxy-2-oxobut-3-enoate
CID 86632809
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
CID 68961421

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid?
The IUPAC name of 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid (CID 141276401) is 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid is CCc1cc(C2=C(C(=O)O)C(C)=NC(N)S2)ccc1O.
What is the InChIKey of 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid?
The InChIKey is ZQSJZWWXLWPIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-8-6-9(4-5-10(8)17)12-11(13(18)19)7(2)16-14(15)20-12/h4-6,14,17H,3,15H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid?
2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-ethyl-4-hydroxyphenyl)-4-methyl-2H-1,3-thiazine-5-carboxylic acid is sourced from PubChem (CID 141276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).