6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid

C19H13F2N5O2S — CID 87817008

IUPAC6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)O)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N5O2S/c1-26(14-5-3-11(20)8-12(14)21)16-7-4-13-17(25-16)29-19(23-13)24-15-6-2-10(9-22-15)18(27)28/h2-9H,1H3,(H,27,28)(H,22,23,24)
InChIKeyQMEABGOHYIHWJS-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.57
Rot. Bonds5

About 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid

6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 87817008) has the molecular formula C19H13F2N5O2S and a molecular weight of 413.41 g/mol. Its IUPAC name is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID87817008
Molecular FormulaC19H13F2N5O2S
Molecular Weight413.41 g/mol
Exact Mass413.08
IUPAC Name6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)O)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C19H13F2N5O2S/c1-26(14-5-3-11(20)8-12(14)21)16-7-4-13-17(25-16)29-19(23-13)24-15-6-2-10(9-22-15)18(27)28/h2-9H,1H3,(H,27,28)(H,22,23,24)
InChIKeyQMEABGOHYIHWJS-UHFFFAOYSA-N
XLogP4.57
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid (CID 87817008) is 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid is CN(c1ccc2nc(Nc3ccc(C(=O)O)cn3)sc2n1)c1ccc(F)cc1F.
What is the InChIKey of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is QMEABGOHYIHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2S/c1-26(14-5-3-11(20)8-12(14)21)16-7-4-13-17(25-16)29-19(23-13)24-15-6-2-10(9-22-15)18(27)28/h2-9H,1H3,(H,27,28)(H,22,23,24).
What are the key properties of 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 413.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 87817008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).