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

C13H7BrCl2N2S — CID 79532935

IUPAC6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C13H7BrCl2N2S/c14-7-1-2-11-12(3-7)19-13(18-11)17-10-5-8(15)4-9(16)6-10/h1-6H,(H,17,18)
InChIKeyCQNWBSYHWGEFEA-UHFFFAOYSA-N
MW374.09 g/mol
LogP6.11
Rot. Bonds2

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

6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79532935) has the molecular formula C13H7BrCl2N2S and a molecular weight of 374.09 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79532935
Molecular FormulaC13H7BrCl2N2S
Molecular Weight374.09 g/mol
Exact Mass371.89
IUPAC Name6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C13H7BrCl2N2S/c14-7-1-2-11-12(3-7)19-13(18-11)17-10-5-8(15)4-9(16)6-10/h1-6H,(H,17,18)
InChIKeyCQNWBSYHWGEFEA-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

N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 43969068
6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 114222809
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
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-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine (CID 79532935) is 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine is Clc1cc(Cl)cc(Nc2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is CQNWBSYHWGEFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2S/c14-7-1-2-11-12(3-7)19-13(18-11)17-10-5-8(15)4-9(16)6-10/h1-6H,(H,17,18).
What are the key properties of 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(3,5-dichlorophenyl)-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 6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79532935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).