(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

C19H17ClN4O4S — CID 135643202

IUPAC(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N/C(=N/NC(=O)c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-28-14-8-6-13(7-9-14)21-18(27)15-10-16(25)22-19(29-15)24-23-17(26)11-2-4-12(20)5-3-11/h2-9,15H,10H2,1H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyZGLBWPNKQIHGGK-UHFFFAOYSA-N
MW432.89 g/mol
LogP2.61
Rot. Bonds5

About (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide

(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135643202) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135643202
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N/C(=N/NC(=O)c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-28-14-8-6-13(7-9-14)21-18(27)15-10-16(25)22-19(29-15)24-23-17(26)11-2-4-12(20)5-3-11/h2-9,15H,10H2,1H3,(H,21,27)(H,23,26)(H,22,24,25)
InChIKeyZGLBWPNKQIHGGK-UHFFFAOYSA-N
XLogP2.61
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.61
H-Bond Donors ≤ 53
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'}

Analyze (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide with MolForge

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Related Compounds

(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
2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 135399264
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
(2E)-N-(4-chlorophenyl)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide;hydrochloride
CID 163326335
(2E)-N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135671309
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449
4-[[(2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 136915474
(2Z,6S)-2-[(Z)-1-(3-fluoro-4-methoxyphenyl)ethylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135922555
(6R)-2-[(Z)-benzylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136755662
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135745670

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135643202) is (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is COc1ccc(NC(=O)C2CC(=O)N/C(=N/NC(=O)c3ccc(Cl)cc3)S2)cc1.
What is the InChIKey of (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is ZGLBWPNKQIHGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-28-14-8-6-13(7-9-14)21-18(27)15-10-16(25)22-19(29-15)24-23-17(26)11-2-4-12(20)5-3-11/h2-9,15H,10H2,1H3,(H,21,27)(H,23,26)(H,22,24,25).
What are the key properties of (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135643202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).