(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C19H17ClN4O2S — CID 137199752

IUPAC(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CC(=O)NC(=NN=Cc3ccc(Cl)cc3)S2)c1
InChIInChI=1S/C19H17ClN4O2S/c1-12-3-2-4-15(9-12)22-18(26)16-10-17(25)23-19(27-16)24-21-11-13-5-7-14(20)8-6-13/h2-9,11,16H,10H2,1H3,(H,22,26)(H,23,24,25)/t16-/m1/s1
InChIKeyINNHQERXZBQDAL-MRXNPFEDSA-N
MW400.89 g/mol
LogP3.60
Rot. Bonds4

About (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 137199752) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID137199752
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CC(=O)NC(=NN=Cc3ccc(Cl)cc3)S2)c1
InChIInChI=1S/C19H17ClN4O2S/c1-12-3-2-4-15(9-12)22-18(26)16-10-17(25)23-19(27-16)24-21-11-13-5-7-14(20)8-6-13/h2-9,11,16H,10H2,1H3,(H,22,26)(H,23,24,25)/t16-/m1/s1
InChIKeyINNHQERXZBQDAL-MRXNPFEDSA-N
XLogP3.60
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(4-bromophenyl)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135526927
(2E)-N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135800874
(2E)-2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135706066
2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135539270
(2E)-2-(benzylidenehydrazinylidene)-N-(3-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135698433
(6R)-N-(3,4-dichlorophenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136689655
(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135856600
N-(4-bromophenyl)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135459286
(6R)-2-[(Z)-benzylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136755662
N-(2-chlorophenyl)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135531029
(2E,6S)-N-(3,4-dichlorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135765239
(2E,6R)-N-(3,4-dimethylphenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135796883

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 137199752) is (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is Cc1cccc(NC(=O)[C@H]2CC(=O)NC(=NN=Cc3ccc(Cl)cc3)S2)c1.
What is the InChIKey of (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is INNHQERXZBQDAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-12-3-2-4-15(9-12)22-18(26)16-10-17(25)23-19(27-16)24-21-11-13-5-7-14(20)8-6-13/h2-9,11,16H,10H2,1H3,(H,22,26)(H,23,24,25)/t16-/m1/s1.
What are the key properties of (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 400.89 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 (6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 137199752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).