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

C14H10Br2N2S — CID 79142921

IUPACN-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cc(Br)ccc3Br)sc2c1
InChIInChI=1S/C14H10Br2N2S/c1-8-2-5-11-13(6-8)19-14(17-11)18-12-7-9(15)3-4-10(12)16/h2-7H,1H3,(H,17,18)
InChIKeySACDCRGQBIVITE-UHFFFAOYSA-N
MW398.12 g/mol
LogP5.87
Rot. Bonds2

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

N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142921) has the molecular formula C14H10Br2N2S and a molecular weight of 398.12 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142921
Molecular FormulaC14H10Br2N2S
Molecular Weight398.12 g/mol
Exact Mass395.89
IUPAC NameN-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3cc(Br)ccc3Br)sc2c1
InChIInChI=1S/C14H10Br2N2S/c1-8-2-5-11-13(6-8)19-14(17-11)18-12-7-9(15)3-4-10(12)16/h2-7H,1H3,(H,17,18)
InChIKeySACDCRGQBIVITE-UHFFFAOYSA-N
XLogP5.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.12
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
N-(3,5-dibromo-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 113413804
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine (CID 79142921) is N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(Nc3cc(Br)ccc3Br)sc2c1.
What is the InChIKey of N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is SACDCRGQBIVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2S/c1-8-2-5-11-13(6-8)19-14(17-11)18-12-7-9(15)3-4-10(12)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 398.12 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).