N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

C19H20Cl3N3O2S — CID 44922659

IUPACN-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2s1.Cl
InChIInChI=1S/C19H19Cl2N3O2S.ClH/c1-23(2)9-10-24(19-22-15-5-3-4-6-17(15)27-19)18(25)12-26-16-8-7-13(20)11-14(16)21;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyVGDLGLPUVOSITE-UHFFFAOYSA-N
MW460.81 g/mol
LogP5.00
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (PubChem CID 44922659) has the molecular formula C19H20Cl3N3O2S and a molecular weight of 460.81 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
PubChem CID44922659
Molecular FormulaC19H20Cl3N3O2S
Molecular Weight460.81 g/mol
Exact Mass459.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2s1.Cl
InChIInChI=1S/C19H19Cl2N3O2S.ClH/c1-23(2)9-10-24(19-22-15-5-3-4-6-17(15)27-19)18(25)12-26-16-8-7-13(20)11-14(16)21;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyVGDLGLPUVOSITE-UHFFFAOYSA-N
XLogP5.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.81
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 41344114
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44925467
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 34262166
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44925028
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 43959509
2-(2,4-dichlorophenoxy)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41348715
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44947373
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41346063
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 17487018
2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44922965
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-ethoxyphenoxy)acetamide
CID 43964795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (CID 44922659) is N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is CN(C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2s1.Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is VGDLGLPUVOSITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S.ClH/c1-23(2)9-10-24(19-22-15-5-3-4-6-17(15)27-19)18(25)12-26-16-8-7-13(20)11-14(16)21;/h3-8,11H,9-10,12H2,1-2H3;1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 460.81 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 44922659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).