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

C12H7Br2N3S — CID 114222809

IUPAC6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESBrc1cncc(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C12H7Br2N3S/c13-7-1-2-10-11(4-7)18-12(17-10)16-9-3-8(14)5-15-6-9/h1-6H,(H,16,17)
InChIKeyQBBSFXYOAITRAE-UHFFFAOYSA-N
MW385.08 g/mol
LogP4.96
Rot. Bonds2

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

6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 114222809) has the molecular formula C12H7Br2N3S and a molecular weight of 385.08 g/mol. Its IUPAC name is 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID114222809
Molecular FormulaC12H7Br2N3S
Molecular Weight385.08 g/mol
Exact Mass382.87
IUPAC Name6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESBrc1cncc(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C12H7Br2N3S/c13-7-1-2-10-11(4-7)18-12(17-10)16-9-3-8(14)5-15-6-9/h1-6H,(H,16,17)
InChIKeyQBBSFXYOAITRAE-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
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
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
5-bromo-N-(4-iodophenyl)-1,3-benzothiazol-2-amine
CID 43304451
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 114222809) is 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine is Brc1cncc(Nc2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is QBBSFXYOAITRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3S/c13-7-1-2-10-11(4-7)18-12(17-10)16-9-3-8(14)5-15-6-9/h1-6H,(H,16,17).
What are the key properties of 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 385.08 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114222809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).