7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

C14H12N2O4S — CID 50944521

IUPAC7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C1CC(=O)Nc2c(C(=O)O)nsc21
InChIInChI=1S/C14H12N2O4S/c1-20-9-5-3-2-4-7(9)8-6-10(17)15-11-12(14(18)19)16-21-13(8)11/h2-5,8H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyGZBMNPNEBMXXEK-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.32
Rot. Bonds3

About 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid (PubChem CID 50944521) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
PubChem CID50944521
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C1CC(=O)Nc2c(C(=O)O)nsc21
InChIInChI=1S/C14H12N2O4S/c1-20-9-5-3-2-4-7(9)8-6-10(17)15-11-12(14(18)19)16-21-13(8)11/h2-5,8H,6H2,1H3,(H,15,17)(H,18,19)
InChIKeyGZBMNPNEBMXXEK-UHFFFAOYSA-N
XLogP2.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

(7S)-7-(3,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
CID 95167224
7-(2-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53046912
(7S)-7-(2,3-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688019
3-(4-fluorophenyl)-7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 16764681
3-(benzenesulfonyl)-7-(2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53003505
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120
(7R)-7-(2,3-dimethoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 26413825
3-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 42654360
(7S)-5-oxo-3-phenyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 26413817
4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
(7S)-7-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061198
(7R)-3-(4-methoxyphenyl)-5-oxo-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061295

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid (CID 50944521) is 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid is COc1ccccc1C1CC(=O)Nc2c(C(=O)O)nsc21.
What is the InChIKey of 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid?
The InChIKey is GZBMNPNEBMXXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-9-5-3-2-4-7(9)8-6-10(17)15-11-12(14(18)19)16-21-13(8)11/h2-5,8H,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid?
7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 50944521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).