2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C12H13N3O2S — CID 138376669

IUPAC2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(C)cc2)S1
InChIInChI=1S/C12H13N3O2S/c1-7-2-4-8(5-3-7)14-11(17)9-6-10(16)15-12(13)18-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyZRRVAFHXZSACSY-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.49
Rot. Bonds2

About 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 138376669) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID138376669
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(C)cc2)S1
InChIInChI=1S/C12H13N3O2S/c1-7-2-4-8(5-3-7)14-11(17)9-6-10(16)15-12(13)18-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyZRRVAFHXZSACSY-UHFFFAOYSA-N
XLogP1.49
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376695
(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135735713
N-(4-chloro-2,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376703
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449
(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135585016
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399457
(6S)-N-(3-fluorophenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135665631
5-cyano-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 17079488
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
(2E)-2-[(E)-1-(5-bromothiophen-2-yl)ethylidenehydrazinylidene]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135648383
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
ethyl 4-[[(6S)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 135675055

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 138376669) is 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is [H]/N=C1/NC(=O)CC(C(=O)Nc2ccc(C)cc2)S1.
What is the InChIKey of 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is ZRRVAFHXZSACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-2-4-8(5-3-7)14-11(17)9-6-10(16)15-12(13)18-9/h2-5,9H,6H2,1H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 138376669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).