6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane

C9H12BrN3OS — CID 163251405

IUPAC6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane
SMILESCC.COc1nc2nc(N)sc2cc1Br
InChIInChI=1S/C7H6BrN3OS.C2H6/c1-12-6-3(8)2-4-5(10-6)11-7(9)13-4;1-2/h2H,1H3,(H2,9,10,11);1-2H3
InChIKeyGOUHGISJUCBHRX-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.07
Rot. Bonds1

About 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane

6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane (PubChem CID 163251405) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane.

Molecular Properties

Compound Name6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane
PubChem CID163251405
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane
SMILESCC.COc1nc2nc(N)sc2cc1Br
InChIInChI=1S/C7H6BrN3OS.C2H6/c1-12-6-3(8)2-4-5(10-6)11-7(9)13-4;1-2/h2H,1H3,(H2,9,10,11);1-2H3
InChIKeyGOUHGISJUCBHRX-UHFFFAOYSA-N
XLogP3.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane?
The IUPAC name of 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane (CID 163251405) is 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane.
What is the SMILES notation for 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane?
The canonical SMILES for 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane is CC.COc1nc2nc(N)sc2cc1Br.
What is the InChIKey of 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane?
The InChIKey is GOUHGISJUCBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3OS.C2H6/c1-12-6-3(8)2-4-5(10-6)11-7(9)13-4;1-2/h2H,1H3,(H2,9,10,11);1-2H3.
What are the key properties of 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane?
6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane has a molecular weight of 290.19 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-2-amine;ethane is sourced from PubChem (CID 163251405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).