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

C14H10Br2N2OS — CID 107601400

IUPACN-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3c(Br)cccc3Br)sc2c1
InChIInChI=1S/C14H10Br2N2OS/c1-19-8-5-6-11-12(7-8)20-14(17-11)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18)
InChIKeyYGQXRVIYEQDJEL-UHFFFAOYSA-N
MW414.12 g/mol
LogP5.57
Rot. Bonds3

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

N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 107601400) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID107601400
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC NameN-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3c(Br)cccc3Br)sc2c1
InChIInChI=1S/C14H10Br2N2OS/c1-19-8-5-6-11-12(7-8)20-14(17-11)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18)
InChIKeyYGQXRVIYEQDJEL-UHFFFAOYSA-N
XLogP5.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.12
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 107601409
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 107601400) is N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3c(Br)cccc3Br)sc2c1.
What is the InChIKey of N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is YGQXRVIYEQDJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c1-19-8-5-6-11-12(7-8)20-14(17-11)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 414.12 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107601400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).