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

C11H12N2O3S — CID 14471547

IUPAC(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate
SMILESCCCC(=O)Oc1cc(C)c2sc(=O)[nH]c2n1
InChIInChI=1S/C11H12N2O3S/c1-3-4-8(14)16-7-5-6(2)9-10(12-7)13-11(15)17-9/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyKVPLENPWSDXSSA-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.00
Rot. Bonds3

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

(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate (PubChem CID 14471547) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate.

Molecular Properties

Compound Name(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate
PubChem CID14471547
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate
SMILESCCCC(=O)Oc1cc(C)c2sc(=O)[nH]c2n1
InChIInChI=1S/C11H12N2O3S/c1-3-4-8(14)16-7-5-6(2)9-10(12-7)13-11(15)17-9/h5H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyKVPLENPWSDXSSA-UHFFFAOYSA-N
XLogP2.00
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.00
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) butanoate?
The IUPAC name of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate (CID 14471547) is (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate.
What is the SMILES notation for (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate?
The canonical SMILES for (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate is CCCC(=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) butanoate?
The InChIKey is KVPLENPWSDXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-4-8(14)16-7-5-6(2)9-10(12-7)13-11(15)17-9/h5H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of (7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate?
(7-methyl-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridin-5-yl) butanoate has a molecular weight of 252.29 g/mol, XLogP of 2.00, 3 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) butanoate is sourced from PubChem (CID 14471547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).