(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide

C20H21N3O2S — CID 135585016

IUPAC(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2/NC(=O)C[C@@H](C(=O)Nc3cc(C)cc(C)c3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-12-4-6-15(7-5-12)22-20-23-18(24)11-17(26-20)19(25)21-16-9-13(2)8-14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1
InChIKeyWLZBPUHLVPENTI-KRWDZBQOSA-N
MW367.47 g/mol
LogP3.86
Rot. Bonds3

About (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide

(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135585016) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135585016
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1ccc(/N=C2/NC(=O)C[C@@H](C(=O)Nc3cc(C)cc(C)c3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-12-4-6-15(7-5-12)22-20-23-18(24)11-17(26-20)19(25)21-16-9-13(2)8-14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1
InChIKeyWLZBPUHLVPENTI-KRWDZBQOSA-N
XLogP3.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.86
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

(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135735713
(6S)-N-(3-fluorophenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135665631
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399457
dimethyl 5-[[(6R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135995324
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
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
dimethyl 5-[[(6R)-2-(2,5-dimethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135884658
(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 137199752
(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135608984
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (CID 135585016) is (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is Cc1ccc(/N=C2/NC(=O)C[C@@H](C(=O)Nc3cc(C)cc(C)c3)S2)cc1.
What is the InChIKey of (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is WLZBPUHLVPENTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-4-6-15(7-5-12)22-20-23-18(24)11-17(26-20)19(25)21-16-9-13(2)8-14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1.
What are the key properties of (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135585016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).