2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H24N4OS — CID 46352640

IUPAC2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2S1
InChIInChI=1S/C20H24N4OS/c1-16-14-24(17-6-2-3-7-18(17)26-16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3
InChIKeyNHMAJPKLJSYMHK-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 46352640) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID46352640
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2S1
InChIInChI=1S/C20H24N4OS/c1-16-14-24(17-6-2-3-7-18(17)26-16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3
InChIKeyNHMAJPKLJSYMHK-UHFFFAOYSA-N
XLogP2.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46555829
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CID 2813993
4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
CID 17481239
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41170724
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1-(2-methoxyphenyl)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 46980979
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 46352640) is 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CC1CN(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2S1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NHMAJPKLJSYMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-16-14-24(17-6-2-3-7-18(17)26-16)15-20(25)23-12-10-22(11-13-23)19-8-4-5-9-21-19/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 368.51 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 46352640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).