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

C19H19N3O2S — CID 135735713

IUPAC(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2/NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-3-7-14(8-4-12)20-18(24)16-11-17(23)22-19(25-16)21-15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,24)(H,21,22,23)/t16-/m1/s1
InChIKeyWFXSOXCVZVJCNR-MRXNPFEDSA-N
MW353.45 g/mol
LogP3.55
Rot. Bonds3

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

(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135735713) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135735713
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2/NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-3-7-14(8-4-12)20-18(24)16-11-17(23)22-19(25-16)21-15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,24)(H,21,22,23)/t16-/m1/s1
InChIKeyWFXSOXCVZVJCNR-MRXNPFEDSA-N
XLogP3.55
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
(6S)-N-(3-fluorophenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135665631
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399457
ethyl 4-[[(6S)-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 135675055
2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376669
dimethyl 5-[[(6R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135995324
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
2-[(5S)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135704966
4-[[(2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 136915474
(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135608984

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (CID 135735713) is (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is Cc1ccc(/N=C2/NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1.
What is the InChIKey of (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is WFXSOXCVZVJCNR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-3-7-14(8-4-12)20-18(24)16-11-17(23)22-19(25-16)21-15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3,(H,20,24)(H,21,22,23)/t16-/m1/s1.
What are the key properties of (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135735713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).