3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine

C13H8BrN5S — CID 107805986

IUPAC3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C13H8BrN5S/c14-7-3-10-12(16-5-7)19(13(15)18-10)8-1-2-9-11(4-8)20-6-17-9/h1-6H,(H2,15,18)
InChIKeyOBLOZHKYCRDATE-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.37
Rot. Bonds1

About 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine

3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine (PubChem CID 107805986) has the molecular formula C13H8BrN5S and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
PubChem CID107805986
Molecular FormulaC13H8BrN5S
Molecular Weight346.21 g/mol
Exact Mass344.97
IUPAC Name3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C13H8BrN5S/c14-7-3-10-12(16-5-7)19(13(15)18-10)8-1-2-9-11(4-8)20-6-17-9/h1-6H,(H2,15,18)
InChIKeyOBLOZHKYCRDATE-UHFFFAOYSA-N
XLogP3.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79280401
6-bromo-3-(2,4,5-trichlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306931
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
6-bromo-3-(2-bromo-5-chlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 81275226
3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301195
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104779962
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306336

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine (CID 107805986) is 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1-c1ccc2ncsc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
The InChIKey is OBLOZHKYCRDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN5S/c14-7-3-10-12(16-5-7)19(13(15)18-10)8-1-2-9-11(4-8)20-6-17-9/h1-6H,(H2,15,18).
What are the key properties of 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine?
3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine has a molecular weight of 346.21 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 107805986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).