2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

C12H13N3O3S — CID 2883659

IUPAC2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-7(3-5-8)14-11(17)9-6-10(16)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyLJXNRTUHRINMSV-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 2883659) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID2883659
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-7(3-5-8)14-11(17)9-6-10(16)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyLJXNRTUHRINMSV-UHFFFAOYSA-N
XLogP0.98
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135511550
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-(P-Anisidino)-2-thiazoline
CID 291787
N-[4-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2732853
1-(4-Ethoxyphenyl)-3-[(5-ethyl-4,6-dihydroxy-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
CID 2950349
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
CID 2892994
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-bromophenyl)-N'-methylcarbamimidothioate
CID 3126836
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-(3-chlorophenyl)-N'-methylcarbamimidothioate
CID 3126862
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
(4-Acetamidophenyl) 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
CID 661448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 2883659) is 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is COc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is LJXNRTUHRINMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-8-4-2-7(3-5-8)14-11(17)9-6-10(16)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 2883659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).