6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione

C12H10N2O3S — CID 136828202

IUPAC6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione
SMILESC/C(=N\c1ccccc1)c1c(O)sc(=O)[nH]c1=O
InChIInChI=1S/C12H10N2O3S/c1-7(13-8-5-3-2-4-6-8)9-10(15)14-12(17)18-11(9)16/h2-6,16H,1H3,(H,14,15,17)/b13-7+
InChIKeyFBWMEQMBOMXTKB-NTUHNPAUSA-N
MW262.29 g/mol
LogP1.64
Rot. Bonds2

About 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione

6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione (PubChem CID 136828202) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione
PubChem CID136828202
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione
SMILESC/C(=N\c1ccccc1)c1c(O)sc(=O)[nH]c1=O
InChIInChI=1S/C12H10N2O3S/c1-7(13-8-5-3-2-4-6-8)9-10(15)14-12(17)18-11(9)16/h2-6,16H,1H3,(H,14,15,17)/b13-7+
InChIKeyFBWMEQMBOMXTKB-NTUHNPAUSA-N
XLogP1.64
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 917399
4-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]benzoic acid
CID 3744281
5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 4220139
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
4-(C-methyl-N-phenylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135794298
3-[1-[6-hydroxy-1-(2-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]benzoic acid
CID 3516192
4-hydroxy-2-methyl-5-(C-methyl-N-phenylcarbonimidoyl)-2,3-dihydropyran-6-one
CID 135604523
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
3-phenyliminobutan-2-one
CID 12823040
2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 135427136
(2S)-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 136846996

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione (CID 136828202) is 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione is C/C(=N\c1ccccc1)c1c(O)sc(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione?
The InChIKey is FBWMEQMBOMXTKB-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7(13-8-5-3-2-4-6-8)9-10(15)14-12(17)18-11(9)16/h2-6,16H,1H3,(H,14,15,17)/b13-7+.
What are the key properties of 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione?
6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(C-methyl-N-phenylcarbonimidoyl)-1,3-thiazine-2,4-dione is sourced from PubChem (CID 136828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).