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

C13H9Br2N3S — CID 113413804

IUPACN-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3ncc(Br)cc3Br)sc2c1
InChIInChI=1S/C13H9Br2N3S/c1-7-2-3-10-11(4-7)19-13(17-10)18-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17,18)
InChIKeyWQFNPCWREIZKHY-UHFFFAOYSA-N
MW399.11 g/mol
LogP5.27
Rot. Bonds2

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

N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 113413804) has the molecular formula C13H9Br2N3S and a molecular weight of 399.11 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID113413804
Molecular FormulaC13H9Br2N3S
Molecular Weight399.11 g/mol
Exact Mass396.89
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3ncc(Br)cc3Br)sc2c1
InChIInChI=1S/C13H9Br2N3S/c1-7-2-3-10-11(4-7)19-13(17-10)18-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17,18)
InChIKeyWQFNPCWREIZKHY-UHFFFAOYSA-N
XLogP5.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.11
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
6-N-(3,5-dimethylphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine
CID 23479475
6-N-ethyl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135263
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545208
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-(2-tert-butylhydrazinyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150109

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine (CID 113413804) is N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(Nc3ncc(Br)cc3Br)sc2c1.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is WQFNPCWREIZKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3S/c1-7-2-3-10-11(4-7)19-13(17-10)18-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 399.11 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).