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

C13H7BrCl2N2S — CID 81274899

IUPACN-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESClc1ccc(Br)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H7BrCl2N2S/c14-9-3-1-7(15)5-11(9)18-13-17-10-4-2-8(16)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyDORCBCIXLSSGFR-UHFFFAOYSA-N
MW374.09 g/mol
LogP6.11
Rot. Bonds2

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

N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine (PubChem CID 81274899) has the molecular formula C13H7BrCl2N2S and a molecular weight of 374.09 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
PubChem CID81274899
Molecular FormulaC13H7BrCl2N2S
Molecular Weight374.09 g/mol
Exact Mass371.89
IUPAC NameN-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESClc1ccc(Br)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C13H7BrCl2N2S/c14-9-3-1-7(15)5-11(9)18-13-17-10-4-2-8(16)6-12(10)19-13/h1-6H,(H,17,18)
InChIKeyDORCBCIXLSSGFR-UHFFFAOYSA-N
XLogP6.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.09
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine (CID 81274899) is N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine is Clc1ccc(Br)c(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine?
The InChIKey is DORCBCIXLSSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2S/c14-9-3-1-7(15)5-11(9)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-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine?
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine has a molecular weight of 374.09 g/mol, XLogP of 6.11, 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-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 81274899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).