(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C14H15FN4O2S — CID 135628380

IUPAC(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)C1CC(=O)N/C(=N\N=C(/C)c2ccc(F)cc2)S1
InChIInChI=1S/C14H15FN4O2S/c1-8(9-3-5-10(15)6-4-9)18-19-14-17-12(20)7-11(22-14)13(21)16-2/h3-6,11H,7H2,1-2H3,(H,16,21)(H,17,19,20)/b18-8+
InChIKeyBPBDECLSJLFPER-QGMBQPNBSA-N
MW322.37 g/mol
LogP1.27
Rot. Bonds3

About (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135628380) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135628380
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCNC(=O)C1CC(=O)N/C(=N\N=C(/C)c2ccc(F)cc2)S1
InChIInChI=1S/C14H15FN4O2S/c1-8(9-3-5-10(15)6-4-9)18-19-14-17-12(20)7-11(22-14)13(21)16-2/h3-6,11H,7H2,1-2H3,(H,16,21)(H,17,19,20)/b18-8+
InChIKeyBPBDECLSJLFPER-QGMBQPNBSA-N
XLogP1.27
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.27
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)-2-{(2E)-[1-(4-fluorophenyl)ethylidene]hydrazono}-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 135472703
(2E)-2-{(2E)-[1-(4-fluorophenyl)ethylidene]hydrazono}-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135517029
1-Methyl-2,5-dioxo-3-pyrrolidinyl 2-[1-(4-fluorophenyl)ethylidene]hydrazinecarbimidothioate
CID 9566929
N-ethyl-2-{4-hydroxy-2-[(1-phenylethylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135433186
(Z)-4-oxo-2-(2-(1-phenylethylidene)hydrazinyl)-5,6-dihydro-4H-1,3-thiazine-6-carboxylic acid
CID 135517156
2-{[1-(4-Fluorophenyl)ethylidene]hydrazono}-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135856143
4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazinane-6-carboxylic acid
CID 136948146
2-[1-(4-Fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135492035
2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 135516481
(2Z)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 135977760
(2Z)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 136101953
4-oxo-2-[(Z)-(1-phenylethylidene)hydrazino]-4,5-dihydro-6H-1,3-thiazine-6-carboxylic acid
CID 137224720

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 135628380) is (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CNC(=O)C1CC(=O)N/C(=N\N=C(/C)c2ccc(F)cc2)S1.
What is the InChIKey of (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is BPBDECLSJLFPER-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-8(9-3-5-10(15)6-4-9)18-19-14-17-12(20)7-11(22-14)13(21)16-2/h3-6,11H,7H2,1-2H3,(H,16,21)(H,17,19,20)/b18-8+.
What are the key properties of (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
(2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135628380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).