methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate

C12H12N2O5S — CID 67429156

IUPACmethyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2sccc2n(C)c1=O
InChIInChI=1S/C12H12N2O5S/c1-14-6-3-4-20-10(6)9(16)8(12(14)18)11(17)13-5-7(15)19-2/h3-4,16H,5H2,1-2H3,(H,13,17)
InChIKeyYJLQPVXHIMOKIF-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.21
Rot. Bonds3

About methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate

methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate (PubChem CID 67429156) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate
PubChem CID67429156
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Namemethyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(O)c2sccc2n(C)c1=O
InChIInChI=1S/C12H12N2O5S/c1-14-6-3-4-20-10(6)9(16)8(12(14)18)11(17)13-5-7(15)19-2/h3-4,16H,5H2,1-2H3,(H,13,17)
InChIKeyYJLQPVXHIMOKIF-UHFFFAOYSA-N
XLogP0.21
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate (CID 67429156) is methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c(O)c2sccc2n(C)c1=O.
What is the InChIKey of methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate?
The InChIKey is YJLQPVXHIMOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-14-6-3-4-20-10(6)9(16)8(12(14)18)11(17)13-5-7(15)19-2/h3-4,16H,5H2,1-2H3,(H,13,17).
What are the key properties of methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate?
methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate has a molecular weight of 296.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetate is sourced from PubChem (CID 67429156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).