methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate

C13H12N2O3S — CID 4097800

IUPACmethyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)nc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)14-13-15-11(16)7-10(19-13)12(17)18-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyGWFPMUJNYYQLPA-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate

methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate (PubChem CID 4097800) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate
PubChem CID4097800
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)nc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)14-13-15-11(16)7-10(19-13)12(17)18-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyGWFPMUJNYYQLPA-UHFFFAOYSA-N
XLogP2.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
CID 6303988
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate
CID 139237272
methyl 2-ethoxy-4-oxo-1,3-thiazine-6-carboxylate
CID 15635438
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
methyl 2-(cyanomethyl)-4-oxo-1,3-thiazine-6-carboxylate
CID 4060756
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate (CID 4097800) is methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate is COC(=O)c1cc(=O)nc(Nc2ccc(C)cc2)s1.
What is the InChIKey of methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate?
The InChIKey is GWFPMUJNYYQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)14-13-15-11(16)7-10(19-13)12(17)18-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate?
methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 4097800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).