(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

C18H16ClN3O3S — CID 135608984

IUPAC(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(Cl)cc1/N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1
InChIInChI=1S/C18H16ClN3O3S/c1-25-14-8-7-11(19)9-13(14)21-18-22-16(23)10-15(26-18)17(24)20-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m0/s1
InChIKeyOZKUHWKAQFXAHP-HNNXBMFYSA-N
MW389.86 g/mol
LogP3.60
Rot. Bonds4

About (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (PubChem CID 135608984) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
PubChem CID135608984
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(Cl)cc1/N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1
InChIInChI=1S/C18H16ClN3O3S/c1-25-14-8-7-11(19)9-13(14)21-18-22-16(23)10-15(26-18)17(24)20-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m0/s1
InChIKeyOZKUHWKAQFXAHP-HNNXBMFYSA-N
XLogP3.60
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-thiazinane-6-carboxamide
CID 136883054
dimethyl 5-[[(6R)-2-(2,5-dimethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135884658
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135745670
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
4-[[(2Z,6S)-2-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 135922474
2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 135399264
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
(6R)-2-[(Z)-benzylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136755662
(2E)-2-(benzylidenehydrazinylidene)-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135698433
(2Z,6R)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136712471
(2Z,6R)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135954474
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (CID 135608984) is (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is COc1ccc(Cl)cc1/N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1.
What is the InChIKey of (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The InChIKey is OZKUHWKAQFXAHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-25-14-8-7-11(19)9-13(14)21-18-22-16(23)10-15(26-18)17(24)20-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m0/s1.
What are the key properties of (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135608984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).