2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

C20H19Cl2N3O2S — CID 41115847

IUPAC2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cccc2sc(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)nc12
InChIInChI=1S/C20H19Cl2N3O2S/c1-13-3-2-4-17-19(13)23-20(28-17)25-9-7-24(8-10-25)18(26)12-27-16-6-5-14(21)11-15(16)22/h2-6,11H,7-10,12H2,1H3
InChIKeyJYJLCEYUSOPNEI-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.64
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 41115847) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID41115847
Molecular FormulaC20H19Cl2N3O2S
Molecular Weight436.36 g/mol
Exact Mass435.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cccc2sc(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)nc12
InChIInChI=1S/C20H19Cl2N3O2S/c1-13-3-2-4-17-19(13)23-20(28-17)25-9-7-24(8-10-25)18(26)12-27-16-6-5-14(21)11-15(16)22/h2-6,11H,7-10,12H2,1H3
InChIKeyJYJLCEYUSOPNEI-UHFFFAOYSA-N
XLogP4.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41116355
2-(2,4-dichlorophenoxy)-1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41027368
2-(2,4-dichlorophenoxy)-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]ethanone
CID 108754806
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
2-(2,4-dichlorophenoxy)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 60603145
2-(4-chlorophenyl)sulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41115912
2-(2,4-dichlorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108536091
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 43982508
(3,4-dimethoxyphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539236
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
(2-chloro-6-fluorophenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982384

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (CID 41115847) is 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is Cc1cccc2sc(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)nc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is JYJLCEYUSOPNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c1-13-3-2-4-17-19(13)23-20(28-17)25-9-7-24(8-10-25)18(26)12-27-16-6-5-14(21)11-15(16)22/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 436.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41115847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).