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

C15H13BrN2OS — CID 63546804

IUPAC5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1
InChIInChI=1S/C15H13BrN2OS/c1-9-7-11(19-2)4-5-12(9)17-15-18-13-8-10(16)3-6-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyCTRGOFRJCBRZKX-UHFFFAOYSA-N
MW349.25 g/mol
LogP5.12
Rot. Bonds3

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

5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 63546804) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID63546804
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1
InChIInChI=1S/C15H13BrN2OS/c1-9-7-11(19-2)4-5-12(9)17-15-18-13-8-10(16)3-6-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyCTRGOFRJCBRZKX-UHFFFAOYSA-N
XLogP5.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine (CID 63546804) is 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3cc(Br)ccc3s2)c(C)c1.
What is the InChIKey of 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is CTRGOFRJCBRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-9-7-11(19-2)4-5-12(9)17-15-18-13-8-10(16)3-6-14(13)20-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 349.25 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63546804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).