(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one

C16H13NO2S — CID 6521989

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C16H13NO2S/c1-19-12-8-6-11(7-9-12)10-15-16(18)17-13-4-2-3-5-14(13)20-15/h2-10H,1H3,(H,17,18)/b15-10-
InChIKeyWKPXOGZQKUEJFF-GDNBJRDFSA-N
MW283.35 g/mol
LogP3.78
Rot. Bonds2

About (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one

(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (PubChem CID 6521989) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
PubChem CID6521989
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C16H13NO2S/c1-19-12-8-6-11(7-9-12)10-15-16(18)17-13-4-2-3-5-14(13)20-15/h2-10H,1H3,(H,17,18)/b15-10-
InChIKeyWKPXOGZQKUEJFF-GDNBJRDFSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
3-[(4-methoxybenzyl)sulfanyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
CID 1490963
4-Methoxyphenyl phenothiazin-10-yl ketone
CID 1237217
N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2870545
N-(4-Methoxy-phenyl)-2-p-tolylsulfanyl-acetamide
CID 788761
2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 3651003
N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4876892
N~1~-(2-methoxybenzyl)-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 16019025
N~1~-(4-Butoxybenzyl)-2-(2,3-dihydro-4H-1,4-benzothiazin-4-YL)acetamide
CID 16029451
7-phenylmethoxy-4H-1,4-benzothiazin-3-one
CID 45257678
7-[(4-methylphenyl)methoxy]-4H-1,4-benzothiazin-3-one
CID 45257798

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (CID 6521989) is (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The InChIKey is WKPXOGZQKUEJFF-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-19-12-8-6-11(7-9-12)10-15-16(18)17-13-4-2-3-5-14(13)20-15/h2-10H,1H3,(H,17,18)/b15-10-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one has a molecular weight of 283.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 6521989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).