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

C19H13F2N5O2S — CID 142688078

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

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

6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 142688078) has the molecular formula C19H13F2N5O2S and a molecular weight of 413.41 g/mol. Its IUPAC name is 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID142688078
Molecular FormulaC19H13F2N5O2S
Molecular Weight413.41 g/mol
Exact Mass413.08
IUPAC Name6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(F)c(F)c1)c1ccc2nc(Nc3ccc(C(=O)O)cn3)sc2n1
InChIInChI=1S/C19H13F2N5O2S/c1-26(11-3-4-12(20)13(21)8-11)16-7-5-14-17(25-16)29-19(23-14)24-15-6-2-10(9-22-15)18(27)28/h2-9H,1H3,(H,27,28)(H,22,23,24)
InChIKeyNOYXFBDPSQJOHV-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

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

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Related Compounds

5-{2-[(4-Piperazin-1-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinic acid
CID 15979633
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)amino]pyridine-3-carboxamide
CID 90155257
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide
CID 90155337
2-[[4-(1,3-Benzothiazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849058
5-Bromo-6-isocyanato-3-methyl-1-[(4-methylphenyl)sulfonyl]-1h-indazole
CID 134147900
2-[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 43811692
6-[[4-Amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 11314872
5-[2-[[4-(4-Fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
CID 15979871
5-[2-[[4-(4,4-Difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
CID 15980472
methyl 1-[[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 24771992
1-[[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 24772050

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid (CID 142688078) is 6-[[5-(3,4-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-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid is CN(c1ccc(F)c(F)c1)c1ccc2nc(Nc3ccc(C(=O)O)cn3)sc2n1.
What is the InChIKey of 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is NOYXFBDPSQJOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2S/c1-26(11-3-4-12(20)13(21)8-11)16-7-5-14-17(25-16)29-19(23-14)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-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid?
6-[[5-(3,4-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-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 142688078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).