(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

C18H15ClN4O3S — CID 135745670

IUPAC(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2)S/C(=N/NC(=O)c2ccccc2Cl)N1
InChIInChI=1S/C18H15ClN4O3S/c19-13-9-5-4-8-12(13)16(25)22-23-18-21-15(24)10-14(27-18)17(26)20-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,22,25)(H,21,23,24)/t14-/m0/s1
InChIKeyDTYVVPGOGKBTKJ-AWEZNQCLSA-N
MW402.86 g/mol
LogP2.60
Rot. Bonds4

About (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (PubChem CID 135745670) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
PubChem CID135745670
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC Name(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccccc2)S/C(=N/NC(=O)c2ccccc2Cl)N1
InChIInChI=1S/C18H15ClN4O3S/c19-13-9-5-4-8-12(13)16(25)22-23-18-21-15(24)10-14(27-18)17(26)20-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,22,25)(H,21,23,24)/t14-/m0/s1
InChIKeyDTYVVPGOGKBTKJ-AWEZNQCLSA-N
XLogP2.60
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.60
H-Bond Donors ≤ 53
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'}

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

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Related Compounds

2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 135399264
N-(3,4-dimethylphenyl)-2-[(2-methylbenzoyl)hydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135532961
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
(6S)-2-(5-chloro-2-methoxyphenyl)imino-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135608984
2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135532932
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135521494
(2Z,6R)-2-[(Z)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 136711412
(6R)-2-[(Z)-benzylidenehydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 136755662
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
4-[[(2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 136915474
(6R)-N-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135735713

Frequently Asked Questions

What is the IUPAC name of (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (CID 135745670) is (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is O=C1C[C@@H](C(=O)Nc2ccccc2)S/C(=N/NC(=O)c2ccccc2Cl)N1.
What is the InChIKey of (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The InChIKey is DTYVVPGOGKBTKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c19-13-9-5-4-8-12(13)16(25)22-23-18-21-15(24)10-14(27-18)17(26)20-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,20,26)(H,22,25)(H,21,23,24)/t14-/m0/s1.
What are the key properties of (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135745670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).