ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate

C10H9BrN2O3S — CID 2747577

IUPACethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sc2ncc(Br)cc21
InChIInChI=1S/C10H9BrN2O3S/c1-2-16-8(14)5-13-7-3-6(11)4-12-9(7)17-10(13)15/h3-4H,2,5H2,1H3
InChIKeyWATJPLCHYDUGAB-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.78
Rot. Bonds3

About ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate

ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate (PubChem CID 2747577) has the molecular formula C10H9BrN2O3S and a molecular weight of 317.16 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
PubChem CID2747577
Molecular FormulaC10H9BrN2O3S
Molecular Weight317.16 g/mol
Exact Mass315.95
IUPAC Nameethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sc2ncc(Br)cc21
InChIInChI=1S/C10H9BrN2O3S/c1-2-16-8(14)5-13-7-3-6(11)4-12-9(7)17-10(13)15/h3-4H,2,5H2,1H3
InChIKeyWATJPLCHYDUGAB-UHFFFAOYSA-N
XLogP1.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate (CID 2747577) is ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate is CCOC(=O)Cn1c(=O)sc2ncc(Br)cc21.
What is the InChIKey of ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
The InChIKey is WATJPLCHYDUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S/c1-2-16-8(14)5-13-7-3-6(11)4-12-9(7)17-10(13)15/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate?
ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate has a molecular weight of 317.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate is sourced from PubChem (CID 2747577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).