7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine

C6H4BrN3S — CID 91756213

IUPAC7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2c(Br)ccnc2s1
InChIInChI=1S/C6H4BrN3S/c7-3-1-2-9-5-4(3)10-6(8)11-5/h1-2H,(H2,8,10)
InChIKeyWORHQFRZRZSFGN-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.04
Rot. Bonds

About 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine

7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 91756213) has the molecular formula C6H4BrN3S and a molecular weight of 230.09 g/mol. Its IUPAC name is 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID91756213
Molecular FormulaC6H4BrN3S
Molecular Weight230.09 g/mol
Exact Mass228.93
IUPAC Name7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2c(Br)ccnc2s1
InChIInChI=1S/C6H4BrN3S/c7-3-1-2-9-5-4(3)10-6(8)11-5/h1-2H,(H2,8,10)
InChIKeyWORHQFRZRZSFGN-UHFFFAOYSA-N
XLogP2.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 91756213) is 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine is Nc1nc2c(Br)ccnc2s1.
What is the InChIKey of 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is WORHQFRZRZSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3S/c7-3-1-2-9-5-4(3)10-6(8)11-5/h1-2H,(H2,8,10).
What are the key properties of 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine?
7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 230.09 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 91756213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).