6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine

C15H13BrN2O2S — CID 79524842

IUPAC6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Br)cc3s2)cc1OC
InChIInChI=1S/C15H13BrN2O2S/c1-19-12-6-4-10(8-13(12)20-2)17-15-18-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyKLYHSHYGOMBEBP-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.82
Rot. Bonds4

About 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine

6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79524842) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID79524842
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Br)cc3s2)cc1OC
InChIInChI=1S/C15H13BrN2O2S/c1-19-12-6-4-10(8-13(12)20-2)17-15-18-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18)
InChIKeyKLYHSHYGOMBEBP-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-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
2-N-(4-bromo-3-methoxyphenyl)-1,3-benzothiazole-2,6-diamine
CID 82857943
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 114222809
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine (CID 79524842) is 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccc(Br)cc3s2)cc1OC.
What is the InChIKey of 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is KLYHSHYGOMBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-19-12-6-4-10(8-13(12)20-2)17-15-18-11-5-3-9(16)7-14(11)21-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(3,4-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-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79524842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).