N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine

C13H7BrClFN2S — CID 107637503

IUPACN-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
SMILESFc1ccc(Br)c(Nc2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C13H7BrClFN2S/c14-8-5-4-7(16)6-11(8)18-13-17-10-3-1-2-9(15)12(10)19-13/h1-6H,(H,17,18)
InChIKeyTZDQIIAORDVXBB-UHFFFAOYSA-N
MW357.64 g/mol
LogP5.59
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine

N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine (PubChem CID 107637503) has the molecular formula C13H7BrClFN2S and a molecular weight of 357.64 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
PubChem CID107637503
Molecular FormulaC13H7BrClFN2S
Molecular Weight357.64 g/mol
Exact Mass355.92
IUPAC NameN-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
SMILESFc1ccc(Br)c(Nc2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C13H7BrClFN2S/c14-8-5-4-7(16)6-11(8)18-13-17-10-3-1-2-9(15)12(10)19-13/h1-6H,(H,17,18)
InChIKeyTZDQIIAORDVXBB-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

Analyze N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
3-chloro-4-[(7-chloro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107809136
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
2-(7-chloro-1,3-benzothiazol-2-yl)-5-fluoroaniline
CID 43306303
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
6-bromo-N-(2-bromo-5-fluorophenyl)pyridin-2-amine
CID 107637214

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine (CID 107637503) is N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine is Fc1ccc(Br)c(Nc2nc3cccc(Cl)c3s2)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine?
The InChIKey is TZDQIIAORDVXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2S/c14-8-5-4-7(16)6-11(8)18-13-17-10-3-1-2-9(15)12(10)19-13/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine?
N-(2-bromo-5-fluorophenyl)-7-chloro-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-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107637503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).