2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid

C15H11FN2O4S — CID 141307427

IUPAC2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOc1nc2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C15H11FN2O4S/c1-2-22-15-17-11-7-10(14(20)21)12(19)18(13(11)23-15)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,20,21)
InChIKeyJXQKRUHYXQXFFR-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.68
Rot. Bonds4

About 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid

2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 141307427) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID141307427
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOc1nc2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C15H11FN2O4S/c1-2-22-15-17-11-7-10(14(20)21)12(19)18(13(11)23-15)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,20,21)
InChIKeyJXQKRUHYXQXFFR-UHFFFAOYSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
CID 146424705
(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
CID 141307421
2-ethoxy-1,3-benzothiazole-7-carboxylic acid
CID 119086424
2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253596
ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123855499
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
6-acetyl-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785649
5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 159107540
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154631465
methyl 1-(4-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate
CID 102252860
5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
CID 90283696

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid (CID 141307427) is 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid is CCOc1nc2cc(C(=O)O)c(=O)n(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is JXQKRUHYXQXFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c1-2-22-15-17-11-7-10(14(20)21)12(19)18(13(11)23-15)9-5-3-8(16)4-6-9/h3-7H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid?
2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 141307427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).