(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

C16H14N4O3S — CID 135521494

IUPAC(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)S/C(=N\N=C\c2ccco2)N1
InChIInChI=1S/C16H14N4O3S/c21-14-9-13(15(22)18-11-5-2-1-3-6-11)24-16(19-14)20-17-10-12-7-4-8-23-12/h1-8,10,13H,9H2,(H,18,22)(H,19,20,21)/b17-10+
InChIKeyPVQSWVJASJUFDE-LICLKQGHSA-N
MW342.38 g/mol
LogP2.23
Rot. Bonds4

About (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (PubChem CID 135521494) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
PubChem CID135521494
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)S/C(=N\N=C\c2ccco2)N1
InChIInChI=1S/C16H14N4O3S/c21-14-9-13(15(22)18-11-5-2-1-3-6-11)24-16(19-14)20-17-10-12-7-4-8-23-12/h1-8,10,13H,9H2,(H,18,22)(H,19,20,21)/b17-10+
InChIKeyPVQSWVJASJUFDE-LICLKQGHSA-N
XLogP2.23
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (CID 135521494) is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is O=C1CC(C(=O)Nc2ccccc2)S/C(=N\N=C\c2ccco2)N1.
What is the InChIKey of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The InChIKey is PVQSWVJASJUFDE-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-14-9-13(15(22)18-11-5-2-1-3-6-11)24-16(19-14)20-17-10-12-7-4-8-23-12/h1-8,10,13H,9H2,(H,18,22)(H,19,20,21)/b17-10+.
What are the key properties of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135521494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).