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

C14H15FN4O2S — CID 135625752

IUPAC(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC=C(N/N=C1\NC(=O)CC(C(=O)NC)S1)c1ccc(F)cc1
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/h3-6,11,18H,1,7H2,2H3,(H,16,21)(H,17,19,20)
InChIKeyHDJWDMOFVHYZIW-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.02
Rot. Bonds4

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

(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135625752) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135625752
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC=C(N/N=C1\NC(=O)CC(C(=O)NC)S1)c1ccc(F)cc1
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/h3-6,11,18H,1,7H2,2H3,(H,16,21)(H,17,19,20)
InChIKeyHDJWDMOFVHYZIW-UHFFFAOYSA-N
XLogP1.02
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.02
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 135625752) is (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is C=C(N/N=C1\NC(=O)CC(C(=O)NC)S1)c1ccc(F)cc1.
What is the InChIKey of (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is HDJWDMOFVHYZIW-UHFFFAOYSA-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/h3-6,11,18H,1,7H2,2H3,(H,16,21)(H,17,19,20).
What are the key properties of (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135625752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).