N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine

C13H7BrClFN2S — CID 79143566

IUPACN-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cc(Br)ccc3Cl)sc2c1
InChIInChI=1S/C13H7BrClFN2S/c14-7-1-3-9(15)11(5-7)18-13-17-10-4-2-8(16)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyBCZDGDKZOJGZGX-UHFFFAOYSA-N
MW357.64 g/mol
LogP5.59
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine

N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79143566) has the molecular formula C13H7BrClFN2S and a molecular weight of 357.64 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79143566
Molecular FormulaC13H7BrClFN2S
Molecular Weight357.64 g/mol
Exact Mass355.92
IUPAC NameN-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cc(Br)ccc3Cl)sc2c1
InChIInChI=1S/C13H7BrClFN2S/c14-7-1-3-9(15)11(5-7)18-13-17-10-4-2-8(16)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyBCZDGDKZOJGZGX-UHFFFAOYSA-N
XLogP5.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.64
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
2-N-(2-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55186737
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79143566) is N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3cc(Br)ccc3Cl)sc2c1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is BCZDGDKZOJGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2S/c14-7-1-3-9(15)11(5-7)18-13-17-10-4-2-8(16)6-12(10)19-13/h1-6H,(H,17,18).
What are the key properties of N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 357.64 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).