(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one

C16H14N2OS — CID 1475210

IUPAC(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)17-10-15-16(19)18-13-4-2-3-5-14(13)20-15/h2-10,17H,1H3,(H,18,19)/b15-10+
InChIKeyXEVDFPVGFVASAK-XNTDXEJSSA-N
MW282.37 g/mol
LogP3.99
Rot. Bonds2

About (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one

(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one (PubChem CID 1475210) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one
PubChem CID1475210
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)17-10-15-16(19)18-13-4-2-3-5-14(13)20-15/h2-10,17H,1H3,(H,18,19)/b15-10+
InChIKeyXEVDFPVGFVASAK-XNTDXEJSSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
CID 3649400
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
CID 5913
10H-Phenothiazine-3-carboxylic acid methylamide
CID 10634829
N-[4-[1-(10H-phenothiazin-2-yl)ethenyl]phenyl]acetamide
CID 141758626
2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 2565036
Tocris-0460
CID 6604723

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one (CID 1475210) is (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one is Cc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one?
The InChIKey is XEVDFPVGFVASAK-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)17-10-15-16(19)18-13-4-2-3-5-14(13)20-15/h2-10,17H,1H3,(H,18,19)/b15-10+.
What are the key properties of (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one?
(2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one has a molecular weight of 282.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 1475210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).