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

C15H13BrN2O2S — CID 79524846

IUPAC6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-19-10-4-6-13(20-2)12(8-10)18-15-17-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNVXLDJQTGVDWHE-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.82
Rot. Bonds4

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

6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79524846) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID79524846
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C15H13BrN2O2S/c1-19-10-4-6-13(20-2)12(8-10)18-15-17-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNVXLDJQTGVDWHE-UHFFFAOYSA-N
XLogP4.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine (CID 79524846) is 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccc(OC)c(Nc2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is NVXLDJQTGVDWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-19-10-4-6-13(20-2)12(8-10)18-15-17-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 365.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79524846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).