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

C19H20N4O2S — CID 17481239

IUPAC4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
SMILESO=C(CN1C(=O)CSc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(13-23-15-5-1-2-6-16(15)26-14-19(23)25)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8H,9-14H2
InChIKeyZOGPGTRDHFXQHF-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.87
Rot. Bonds3

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

4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one (PubChem CID 17481239) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
PubChem CID17481239
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
SMILESO=C(CN1C(=O)CSc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(13-23-15-5-1-2-6-16(15)26-14-19(23)25)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8H,9-14H2
InChIKeyZOGPGTRDHFXQHF-UHFFFAOYSA-N
XLogP1.87
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-3-one
CID 50777258
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 4692271
4-[2-oxo-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-1,4-benzothiazin-3-one
CID 3829623
(2E)-2-[(2-chlorophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
CID 46251030
4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 95334203
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
(3R)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125134556
2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46352640
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 55540462
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one (CID 17481239) is 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one is O=C(CN1C(=O)CSc2ccccc21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one?
The InChIKey is ZOGPGTRDHFXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(13-23-15-5-1-2-6-16(15)26-14-19(23)25)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8H,9-14H2.
What are the key properties of 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one?
4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one has a molecular weight of 368.46 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 17481239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).