5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine

C12H8BrN3S — CID 10542658

IUPAC5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine
SMILESNc1ncc(-c2nc3ccccc3s2)cc1Br
InChIInChI=1S/C12H8BrN3S/c13-8-5-7(6-15-11(8)14)12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H2,14,15)
InChIKeyZONFDPLYLAJVSU-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.70
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine

5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine (PubChem CID 10542658) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine
PubChem CID10542658
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine
SMILESNc1ncc(-c2nc3ccccc3s2)cc1Br
InChIInChI=1S/C12H8BrN3S/c13-8-5-7(6-15-11(8)14)12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H2,14,15)
InChIKeyZONFDPLYLAJVSU-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine (CID 10542658) is 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine is Nc1ncc(-c2nc3ccccc3s2)cc1Br.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine?
The InChIKey is ZONFDPLYLAJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-8-5-7(6-15-11(8)14)12-16-9-3-1-2-4-10(9)17-12/h1-6H,(H2,14,15).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine?
5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine has a molecular weight of 306.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-3-bromopyridin-2-amine is sourced from PubChem (CID 10542658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).