2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

C20H14Cl2N2O2S — CID 3262118

IUPAC2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2c3ccccc3ccc21
InChIInChI=1S/C20H14Cl2N2O2S/c1-24-16-8-6-12-4-2-3-5-14(12)19(16)27-20(24)23-18(25)11-26-17-9-7-13(21)10-15(17)22/h2-10H,11H2,1H3/b23-20-
InChIKeyIRGLFKUDPDSHBJ-ATJXCDBQSA-N
MW417.32 g/mol
LogP5.21
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 3262118) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID3262118
Molecular FormulaC20H14Cl2N2O2S
Molecular Weight417.32 g/mol
Exact Mass416.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2c3ccccc3ccc21
InChIInChI=1S/C20H14Cl2N2O2S/c1-24-16-8-6-12-4-2-3-5-14(12)19(16)27-20(24)23-18(25)11-26-17-9-7-13(21)10-15(17)22/h2-10H,11H2,1H3/b23-20-
InChIKeyIRGLFKUDPDSHBJ-ATJXCDBQSA-N
XLogP5.21
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3437777
2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41124805
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4121652
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 4054497
2-(2,4-dichlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 41092431
2-(2,4-dichlorophenoxy)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide
CID 40885607
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate
CID 611094

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 3262118) is 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2c3ccccc3ccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is IRGLFKUDPDSHBJ-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c1-24-16-8-6-12-4-2-3-5-14(12)19(16)27-20(24)23-18(25)11-26-17-9-7-13(21)10-15(17)22/h2-10H,11H2,1H3/b23-20-.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 417.32 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 3262118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).