(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one

C19H18N4O2S — CID 46249869

IUPAC(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2S/C1=C\C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18N4O2S/c24-18(13-16-19(25)21-14-5-1-2-6-15(14)26-16)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h1-8,13H,9-12H2,(H,21,25)/b16-13-
InChIKeyWCMYPAKRTYXCHS-SSZFMOIBSA-N
MW366.45 g/mol
LogP2.36
Rot. Bonds2

About (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one

(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one (PubChem CID 46249869) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one
PubChem CID46249869
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2S/C1=C\C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18N4O2S/c24-18(13-16-19(25)21-14-5-1-2-6-15(14)26-16)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h1-8,13H,9-12H2,(H,21,25)/b16-13-
InChIKeyWCMYPAKRTYXCHS-SSZFMOIBSA-N
XLogP2.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one (CID 46249869) is (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one is O=C1Nc2ccccc2S/C1=C\C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one?
The InChIKey is WCMYPAKRTYXCHS-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(13-16-19(25)21-14-5-1-2-6-15(14)26-16)23-11-9-22(10-12-23)17-7-3-4-8-20-17/h1-8,13H,9-12H2,(H,21,25)/b16-13-.
What are the key properties of (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one?
(2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one has a molecular weight of 366.45 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 46249869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).