5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine

C15H13BrN2S — CID 43306818

IUPAC5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1
InChIInChI=1S/C15H13BrN2S/c1-9-3-5-12(10(2)7-9)17-15-18-13-8-11(16)4-6-14(13)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyBSEPUYJLGLZAKL-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.42
Rot. Bonds2

About 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine

5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306818) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID43306818
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1
InChIInChI=1S/C15H13BrN2S/c1-9-3-5-12(10(2)7-9)17-15-18-13-8-11(16)4-6-14(13)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyBSEPUYJLGLZAKL-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.25
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
5-bromo-N-(2,6-difluoro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 82819807
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
5-bromo-N-(4-iodophenyl)-1,3-benzothiazol-2-amine
CID 43304451
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine (CID 43306818) is 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1.
What is the InChIKey of 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is BSEPUYJLGLZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-9-3-5-12(10(2)7-9)17-15-18-13-8-11(16)4-6-14(13)19-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 333.25 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).