2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide

C19H19BrN2O3S — CID 19218244

IUPAC2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCCCOc1ccc2nc(NC(=O)COc3ccccc3Br)sc2c1
InChIInChI=1S/C19H19BrN2O3S/c1-2-3-10-24-13-8-9-15-17(11-13)26-19(21-15)22-18(23)12-25-16-7-5-4-6-14(16)20/h4-9,11H,2-3,10,12H2,1H3,(H,21,22,23)
InChIKeyXOHKOEGIFINHIK-UHFFFAOYSA-N
MW435.34 g/mol
LogP5.26
Rot. Bonds8

About 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide

2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 19218244) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID19218244
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCCCOc1ccc2nc(NC(=O)COc3ccccc3Br)sc2c1
InChIInChI=1S/C19H19BrN2O3S/c1-2-3-10-24-13-8-9-15-17(11-13)26-19(21-15)22-18(23)12-25-16-7-5-4-6-14(16)20/h4-9,11H,2-3,10,12H2,1H3,(H,21,22,23)
InChIKeyXOHKOEGIFINHIK-UHFFFAOYSA-N
XLogP5.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213758
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(4-bromo-2-ethylphenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19219783
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 19218142
N-(1,3-benzothiazol-2-yl)-2-(3-heptoxyphenoxy)acetamide
CID 4733411
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219051
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide (CID 19218244) is 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide is CCCCOc1ccc2nc(NC(=O)COc3ccccc3Br)sc2c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XOHKOEGIFINHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-2-3-10-24-13-8-9-15-17(11-13)26-19(21-15)22-18(23)12-25-16-7-5-4-6-14(16)20/h4-9,11H,2-3,10,12H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 435.34 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 19218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).