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

C17H16N4O3S — CID 135521464

IUPAC(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N/C(=N/N=C/c3ccco3)S2)c1
InChIInChI=1S/C17H16N4O3S/c1-11-4-2-5-12(8-11)19-16(23)14-9-15(22)20-17(25-14)21-18-10-13-6-3-7-24-13/h2-8,10,14H,9H2,1H3,(H,19,23)(H,20,21,22)/b18-10+
InChIKeyPIYYFPYNWFVVPO-VCHYOVAHSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds4

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

(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 135521464) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID135521464
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N/C(=N/N=C/c3ccco3)S2)c1
InChIInChI=1S/C17H16N4O3S/c1-11-4-2-5-12(8-11)19-16(23)14-9-15(22)20-17(25-14)21-18-10-13-6-3-7-24-13/h2-8,10,14H,9H2,1H3,(H,19,23)(H,20,21,22)/b18-10+
InChIKeyPIYYFPYNWFVVPO-VCHYOVAHSA-N
XLogP2.54
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
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]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CID 135521464) is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N/C(=N/N=C/c3ccco3)S2)c1.
What is the InChIKey of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is PIYYFPYNWFVVPO-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-4-2-5-12(8-11)19-16(23)14-9-15(22)20-17(25-14)21-18-10-13-6-3-7-24-13/h2-8,10,14H,9H2,1H3,(H,19,23)(H,20,21,22)/b18-10+.
What are the key properties of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.54, 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]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 135521464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).