(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate

C9H8N2O3S — CID 5301833

IUPAC(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1cc(C)c2sc(=O)[nH]c2n1
InChIInChI=1S/C9H8N2O3S/c1-4-3-6(14-5(2)12)10-8-7(4)15-9(13)11-8/h3H,1-2H3,(H,10,11,13)
InChIKeyFYUKCWAJGHJKBL-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.22
Rot. Bonds1

About (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate

(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate (PubChem CID 5301833) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate.

Molecular Properties

Compound Name(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate
PubChem CID5301833
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate
SMILESCC(=O)Oc1cc(C)c2sc(=O)[nH]c2n1
InChIInChI=1S/C9H8N2O3S/c1-4-3-6(14-5(2)12)10-8-7(4)15-9(13)11-8/h3H,1-2H3,(H,10,11,13)
InChIKeyFYUKCWAJGHJKBL-UHFFFAOYSA-N
XLogP1.22
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate?
The IUPAC name of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate (CID 5301833) is (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate.
What is the SMILES notation for (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate?
The canonical SMILES for (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate is CC(=O)Oc1cc(C)c2sc(=O)[nH]c2n1.
What is the InChIKey of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate?
The InChIKey is FYUKCWAJGHJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-3-6(14-5(2)12)10-8-7(4)15-9(13)11-8/h3H,1-2H3,(H,10,11,13).
What are the key properties of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate?
(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate has a molecular weight of 224.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) acetate is sourced from PubChem (CID 5301833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).