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

C13H7BrClFN2S — CID 79533991

IUPAC6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H7BrClFN2S/c14-7-1-3-11-12(5-7)19-13(18-11)17-10-4-2-8(15)6-9(10)16/h1-6H,(H,17,18)
InChIKeyXRCYOLRHFMCSIG-UHFFFAOYSA-N
MW357.64 g/mol
LogP5.59
Rot. Bonds2

About 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine

6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79533991) has the molecular formula C13H7BrClFN2S and a molecular weight of 357.64 g/mol. Its IUPAC name is 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79533991
Molecular FormulaC13H7BrClFN2S
Molecular Weight357.64 g/mol
Exact Mass355.92
IUPAC Name6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(Cl)ccc1Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C13H7BrClFN2S/c14-7-1-3-11-12(5-7)19-13(18-11)17-10-4-2-8(15)6-9(10)16/h1-6H,(H,17,18)
InChIKeyXRCYOLRHFMCSIG-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

2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (CID 79533991) is 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is Fc1cc(Cl)ccc1Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is XRCYOLRHFMCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2S/c14-7-1-3-11-12(5-7)19-13(18-11)17-10-4-2-8(15)6-9(10)16/h1-6H,(H,17,18).
What are the key properties of 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(4-chloro-2-fluorophenyl)-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 6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).