2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one

C20H24N4O2S — CID 56622049

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1N1CCN(CCN2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C20H24N4O2S/c1-26-18-8-4-3-7-17(18)23-13-10-22(11-14-23)12-15-24-20(25)21-16-6-2-5-9-19(16)27-24/h2-9H,10-15H2,1H3,(H,21,25)
InChIKeyLFLFLWOWYHOHPC-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.37
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one (PubChem CID 56622049) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one
PubChem CID56622049
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one
SMILESCOc1ccccc1N1CCN(CCN2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C20H24N4O2S/c1-26-18-8-4-3-7-17(18)23-13-10-22(11-14-23)12-15-24-20(25)21-16-6-2-5-9-19(16)27-24/h2-9H,10-15H2,1H3,(H,21,25)
InChIKeyLFLFLWOWYHOHPC-UHFFFAOYSA-N
XLogP3.37
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,8,9,10-tetrahydro-[1,4]dioxepino[2,3-f][1,2,4]benzothiadiazin-2-one
CID 56617211
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-[1,3]dioxolo[4,5-g][1,2,4]benzothiadiazin-3-one
CID 56638196
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 139780418
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenylpyridin-2-one
CID 98040637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one (CID 56622049) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one is COc1ccccc1N1CCN(CCN2Sc3ccccc3NC2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one?
The InChIKey is LFLFLWOWYHOHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-26-18-8-4-3-7-17(18)23-13-10-22(11-14-23)12-15-24-20(25)21-16-6-2-5-9-19(16)27-24/h2-9H,10-15H2,1H3,(H,21,25).
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one has a molecular weight of 384.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4H-1,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 56622049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).