2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one

C20H18N2O3S — CID 4521443

IUPAC2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1=Cc1ccccc1
InChIInChI=1S/C20H18N2O3S/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyBCAFWVMQWIGTFW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.24
Rot. Bonds2

About 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one

2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one (PubChem CID 4521443) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
PubChem CID4521443
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1=Cc1ccccc1
InChIInChI=1S/C20H18N2O3S/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyBCAFWVMQWIGTFW-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-benzylidene-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 24792851
(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296884
ethyl 1-[(2Z)-2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylate
CID 6257314
2-benzylidene-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5045166
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 4307947
2-benzylidene-N-cyclopropyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3273973
(2Z)-2-benzylidene-N-cyclopropyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 45105242
(2E)-2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
CID 6043558
6-(4-benzylpiperidine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4155224
(2E)-2-[(3-chlorophenyl)methylidene]-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 6014182
2-benzylidene-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5045164
(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
CID 46371423

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one (CID 4521443) is 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one is O=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1=Cc1ccccc1.
What is the InChIKey of 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is BCAFWVMQWIGTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23).
What are the key properties of 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one?
2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 366.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 4521443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).