2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C18H18N2O2S — CID 836392

IUPAC2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-11-5-7-15(13(3)8-11)22-10-17(21)20-18-19-14-6-4-12(2)9-16(14)23-18/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyZHNKSFISRAJWFG-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 836392) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID836392
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-11-5-7-15(13(3)8-11)22-10-17(21)20-18-19-14-6-4-12(2)9-16(14)23-18/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKeyZHNKSFISRAJWFG-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 19218142
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 53268762
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 53268787
2-(4-chloro-2-methylphenoxy)-N-(6-isothiocyanato-1,3-benzothiazol-2-yl)acetamide
CID 1286805
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
2-(3-acetamidophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18870050
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23828313
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51184950

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 836392) is 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZHNKSFISRAJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-5-7-15(13(3)8-11)22-10-17(21)20-18-19-14-6-4-12(2)9-16(14)23-18/h4-9H,10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 836392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).