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

C15H12FN3O3S — CID 123265980

IUPAC6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3ncsc3c(=O)n2C)c(F)c1
InChIInChI=1S/C15H12FN3O3S/c1-7-3-4-9(8(16)5-7)18-13-10(15(21)22)11-12(23-6-17-11)14(20)19(13)2/h3-6,18H,1-2H3,(H,21,22)
InChIKeyMMCDZYSBJAQMME-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.88
Rot. Bonds3

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

6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (PubChem CID 123265980) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
PubChem CID123265980
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)c3ncsc3c(=O)n2C)c(F)c1
InChIInChI=1S/C15H12FN3O3S/c1-7-3-4-9(8(16)5-7)18-13-10(15(21)22)11-12(23-6-17-11)14(20)19(13)2/h3-6,18H,1-2H3,(H,21,22)
InChIKeyMMCDZYSBJAQMME-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The IUPAC name of 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (CID 123265980) is 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)c3ncsc3c(=O)n2C)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The InChIKey is MMCDZYSBJAQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-7-3-4-9(8(16)5-7)18-13-10(15(21)22)11-12(23-6-17-11)14(20)19(13)2/h3-6,18H,1-2H3,(H,21,22).
What are the key properties of 6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
6-(2-fluoro-4-methylanilino)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.88, 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)-5-methyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 123265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).