6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid

C16H14FN3O3S — CID 126592205

IUPAC6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3nc(C)sc3c(=O)n2C)c(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-7-4-5-10(9(17)6-7)19-14-11(16(22)23)12-13(15(21)20(14)3)24-8(2)18-12/h4-6,19H,1-3H3,(H,22,23)
InChIKeyGPNDPQUYDFMCGH-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.19
Rot. Bonds3

About 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid

6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (PubChem CID 126592205) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
PubChem CID126592205
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3nc(C)sc3c(=O)n2C)c(F)c1
InChIInChI=1S/C16H14FN3O3S/c1-7-4-5-10(9(17)6-7)19-14-11(16(22)23)12-13(15(21)20(14)3)24-8(2)18-12/h4-6,19H,1-3H3,(H,22,23)
InChIKeyGPNDPQUYDFMCGH-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid with MolForge

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Related Compounds

6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 67512258
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
CID 126592438
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
CID 142284829
2-(2-fluoro-4-methylanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carbonyl chloride
CID 142476391
2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 91555123

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The IUPAC name of 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (CID 126592205) is 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)c3nc(C)sc3c(=O)n2C)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The InChIKey is GPNDPQUYDFMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-7-4-5-10(9(17)6-7)19-14-11(16(22)23)12-13(15(21)20(14)3)24-8(2)18-12/h4-6,19H,1-3H3,(H,22,23).
What are the key properties of 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 126592205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).