5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine

C8H6BrN3S — CID 5329400

IUPAC5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C8H6BrN3S/c9-6-5-11-8(13-6)12-7-3-1-2-4-10-7/h1-5H,(H,10,11,12)
InChIKeyWZNOXZQMWMMJMJ-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.04
Rot. Bonds2

About 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine

5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 5329400) has the molecular formula C8H6BrN3S and a molecular weight of 256.13 g/mol. Its IUPAC name is 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID5329400
Molecular FormulaC8H6BrN3S
Molecular Weight256.13 g/mol
Exact Mass254.95
IUPAC Name5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C8H6BrN3S/c9-6-5-11-8(13-6)12-7-3-1-2-4-10-7/h1-5H,(H,10,11,12)
InChIKeyWZNOXZQMWMMJMJ-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 5329400) is 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine is Brc1cnc(Nc2ccccn2)s1.
What is the InChIKey of 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WZNOXZQMWMMJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S/c9-6-5-11-8(13-6)12-7-3-1-2-4-10-7/h1-5H,(H,10,11,12).
What are the key properties of 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 256.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).