N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide

C17H15BrN2O2S — CID 1253918

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)cc1Br
InChIInChI=1S/C17H15BrN2O2S/c1-10-8-14(11(2)7-12(10)18)22-9-16(21)20-17-19-13-5-3-4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyCXKGQYPQJVPSDT-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.69
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide (PubChem CID 1253918) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
PubChem CID1253918
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)cc1Br
InChIInChI=1S/C17H15BrN2O2S/c1-10-8-14(11(2)7-12(10)18)22-9-16(21)20-17-19-13-5-3-4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyCXKGQYPQJVPSDT-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4870875
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
2-(2-bromo-4-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 19214317
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 35569922
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(4-bromo-2,5-dimethylphenoxy)-N-(2-phenylphenyl)acetamide
CID 2233417
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 53268762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide (CID 1253918) is N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)cc1Br.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
The InChIKey is CXKGQYPQJVPSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-10-8-14(11(2)7-12(10)18)22-9-16(21)20-17-19-13-5-3-4-6-15(13)23-17/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide has a molecular weight of 391.29 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 1253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).