N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide

C17H14BrFN2O2S — CID 34264564

IUPACN-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(F)cc1Br)c1nc2ccccc2s1
InChIInChI=1S/C17H14BrFN2O2S/c1-23-9-8-21(16(22)12-7-6-11(19)10-13(12)18)17-20-14-4-2-3-5-15(14)24-17/h2-7,10H,8-9H2,1H3
InChIKeyYGQYCEIZXJVYMF-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.49
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 34264564) has the molecular formula C17H14BrFN2O2S and a molecular weight of 409.28 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID34264564
Molecular FormulaC17H14BrFN2O2S
Molecular Weight409.28 g/mol
Exact Mass407.99
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(F)cc1Br)c1nc2ccccc2s1
InChIInChI=1S/C17H14BrFN2O2S/c1-23-9-8-21(16(22)12-7-6-11(19)10-13(12)18)17-20-14-4-2-3-5-15(14)24-17/h2-7,10H,8-9H2,1H3
InChIKeyYGQYCEIZXJVYMF-UHFFFAOYSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 34264337
N-(1,3-benzothiazol-2-yl)-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methoxyethyl)acetamide
CID 55546116
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-[2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55871506
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55545478
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
(1R)-N-(1,3-benzothiazol-2-yl)-2,2-dichloro-N-(2-methoxyethyl)-1-methylcyclopropane-1-carboxamide
CID 30797762
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 34264878
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55546272
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 46821644

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide (CID 34264564) is N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccc(F)cc1Br)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is YGQYCEIZXJVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2S/c1-23-9-8-21(16(22)12-7-6-11(19)10-13(12)18)17-20-14-4-2-3-5-15(14)24-17/h2-7,10H,8-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 409.28 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 34264564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).