(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide

C19H16Cl2N4O3S — CID 135856600

IUPAC(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C=N/N=C2\NC(=O)CC(C(=O)Nc3ccc(Cl)c(Cl)c3)S2)cc1
InChIInChI=1S/C19H16Cl2N4O3S/c1-28-13-5-2-11(3-6-13)10-22-25-19-24-17(26)9-16(29-19)18(27)23-12-4-7-14(20)15(21)8-12/h2-8,10,16H,9H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyWPQDNEZMTXIIJO-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.95
Rot. Bonds5

About (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide

(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135856600) has the molecular formula C19H16Cl2N4O3S and a molecular weight of 451.34 g/mol. Its IUPAC name is (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135856600
Molecular FormulaC19H16Cl2N4O3S
Molecular Weight451.34 g/mol
Exact Mass450.03
IUPAC Name(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(C=N/N=C2\NC(=O)CC(C(=O)Nc3ccc(Cl)c(Cl)c3)S2)cc1
InChIInChI=1S/C19H16Cl2N4O3S/c1-28-13-5-2-11(3-6-13)10-22-25-19-24-17(26)9-16(29-19)18(27)23-12-4-7-14(20)15(21)8-12/h2-8,10,16H,9H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyWPQDNEZMTXIIJO-UHFFFAOYSA-N
XLogP3.95
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(6R)-N-(3,4-dichlorophenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136689655
(2E)-N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135800874
(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
(2E,6S)-N-(3,4-dichlorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135765239
(6R)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 137199752
(2E)-N-(4-bromophenyl)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135526927
(2Z,6R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136792556
(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
(2E,6R)-N-(4-methoxyphenyl)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136906143
(6R)-N-(2,4-dimethoxyphenyl)-2-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136786350

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide (CID 135856600) is (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccc(C=N/N=C2\NC(=O)CC(C(=O)Nc3ccc(Cl)c(Cl)c3)S2)cc1.
What is the InChIKey of (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is WPQDNEZMTXIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S/c1-28-13-5-2-11(3-6-13)10-22-25-19-24-17(26)9-16(29-19)18(27)23-12-4-7-14(20)15(21)8-12/h2-8,10,16H,9H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide?
(2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3,4-dichlorophenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135856600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).