5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C15H9BrClFN2O2S — CID 17341167

IUPAC5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2cc(Cl)c(F)cc2s1
InChIInChI=1S/C15H9BrClFN2O2S/c1-22-12-3-2-7(16)4-8(12)14(21)20-15-19-11-5-9(17)10(18)6-13(11)23-15/h2-6H,1H3,(H,19,20,21)
InChIKeyZOWBCDLHZACGRQ-UHFFFAOYSA-N
MW415.67 g/mol
LogP5.11
Rot. Bonds3

About 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 17341167) has the molecular formula C15H9BrClFN2O2S and a molecular weight of 415.67 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID17341167
Molecular FormulaC15H9BrClFN2O2S
Molecular Weight415.67 g/mol
Exact Mass413.92
IUPAC Name5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2cc(Cl)c(F)cc2s1
InChIInChI=1S/C15H9BrClFN2O2S/c1-22-12-3-2-7(16)4-8(12)14(21)20-15-19-11-5-9(17)10(18)6-13(11)23-15/h2-6H,1H3,(H,19,20,21)
InChIKeyZOWBCDLHZACGRQ-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
CID 54783487
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 39381314
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
5-chloro-2-methoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601782
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 17341167) is 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1nc2cc(Cl)c(F)cc2s1.
What is the InChIKey of 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is ZOWBCDLHZACGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O2S/c1-22-12-3-2-7(16)4-8(12)14(21)20-15-19-11-5-9(17)10(18)6-13(11)23-15/h2-6H,1H3,(H,19,20,21).
What are the key properties of 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 415.67 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 17341167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).