N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride

C19H21BrClN3O2S — CID 18563772

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride
SMILESCN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(Br)cc2s1.Cl
InChIInChI=1S/C19H20BrN3O2S.ClH/c1-22(2)10-11-23(18(24)13-25-15-6-4-3-5-7-15)19-21-16-9-8-14(20)12-17(16)26-19;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyFPQOJJNJDHETPO-UHFFFAOYSA-N
MW470.82 g/mol
LogP4.45
Rot. Bonds7

About N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride (PubChem CID 18563772) has the molecular formula C19H21BrClN3O2S and a molecular weight of 470.82 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride
PubChem CID18563772
Molecular FormulaC19H21BrClN3O2S
Molecular Weight470.82 g/mol
Exact Mass469.02
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride
SMILESCN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(Br)cc2s1.Cl
InChIInChI=1S/C19H20BrN3O2S.ClH/c1-22(2)10-11-23(18(24)13-25-15-6-4-3-5-7-15)19-21-16-9-8-14(20)12-17(16)26-19;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyFPQOJJNJDHETPO-UHFFFAOYSA-N
XLogP4.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 43960686
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 44929993
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43964545
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;hydrochloride
CID 18577432
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 43961435
2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44922965
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7511445
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 43961330
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide;hydrochloride
CID 44923384
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;hydrochloride
CID 44928862
N-(6-bromo-1,3-benzothiazol-2-yl)-4-butoxy-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923336

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride (CID 18563772) is N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride is CN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(Br)cc2s1.Cl.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride?
The InChIKey is FPQOJJNJDHETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S.ClH/c1-22(2)10-11-23(18(24)13-25-15-6-4-3-5-7-15)19-21-16-9-8-14(20)12-17(16)26-19;/h3-9,12H,10-11,13H2,1-2H3;1H.
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride?
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride has a molecular weight of 470.82 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 18563772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).