N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

C22H24BrN3O2S — CID 29138194

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Br)cc3s2)cc1C
InChIInChI=1S/C22H24BrN3O2S/c1-15-3-4-17(13-16(15)2)21(27)26(8-7-25-9-11-28-12-10-25)22-24-19-6-5-18(23)14-20(19)29-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZULVSNCIQJAXCD-UHFFFAOYSA-N
MW474.42 g/mol
LogP4.65
Rot. Bonds5

About N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide

N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 29138194) has the molecular formula C22H24BrN3O2S and a molecular weight of 474.42 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID29138194
Molecular FormulaC22H24BrN3O2S
Molecular Weight474.42 g/mol
Exact Mass473.08
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Br)cc3s2)cc1C
InChIInChI=1S/C22H24BrN3O2S/c1-15-3-4-17(13-16(15)2)21(27)26(8-7-25-9-11-28-12-10-25)22-24-19-6-5-18(23)14-20(19)29-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZULVSNCIQJAXCD-UHFFFAOYSA-N
XLogP4.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138176
3,4-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29278621
3-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935802
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999149
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 16955820
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 29138202
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate
CID 43997854
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
N-(6-bromo-1,3-benzothiazol-2-yl)-3-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999179
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138820
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrothiophene-2-carboxamide
CID 29138189

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide (CID 29138194) is N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(Br)cc3s2)cc1C.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ZULVSNCIQJAXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2S/c1-15-3-4-17(13-16(15)2)21(27)26(8-7-25-9-11-28-12-10-25)22-24-19-6-5-18(23)14-20(19)29-22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 474.42 g/mol, XLogP of 4.65, 5 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)-3,4-dimethyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 29138194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).