5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine

C13H7Br2FN2S — CID 43306662

IUPAC5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(Br)ccc1Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C13H7Br2FN2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeySYTJWYDFCAJNNG-UHFFFAOYSA-N
MW402.09 g/mol
LogP5.70
Rot. Bonds2

About 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine

5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306662) has the molecular formula C13H7Br2FN2S and a molecular weight of 402.09 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID43306662
Molecular FormulaC13H7Br2FN2S
Molecular Weight402.09 g/mol
Exact Mass399.87
IUPAC Name5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(Br)ccc1Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C13H7Br2FN2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeySYTJWYDFCAJNNG-UHFFFAOYSA-N
XLogP5.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.09
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
5-bromo-N-(2,6-difluoro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 82819807
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306627
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
5-bromo-N-(4-iodophenyl)-1,3-benzothiazol-2-amine
CID 43304451
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine (CID 43306662) is 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine is Fc1cc(Br)ccc1Nc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is SYTJWYDFCAJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18).
What are the key properties of 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 402.09 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).