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

C20H15F2N5O2S — CID 24772302

IUPACmethyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)c(F)c4)nc3s2)nc1
InChIInChI=1S/C20H15F2N5O2S/c1-27(12-4-5-13(21)14(22)9-12)17-8-6-15-18(26-17)30-20(24-15)25-16-7-3-11(10-23-16)19(28)29-2/h3-10H,1-2H3,(H,23,24,25)
InChIKeyOTVSYNCYPGRNJJ-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.66
Rot. Bonds5

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

methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate (PubChem CID 24772302) has the molecular formula C20H15F2N5O2S and a molecular weight of 427.44 g/mol. Its IUPAC name is methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate
PubChem CID24772302
Molecular FormulaC20H15F2N5O2S
Molecular Weight427.44 g/mol
Exact Mass427.09
IUPAC Namemethyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)c(F)c4)nc3s2)nc1
InChIInChI=1S/C20H15F2N5O2S/c1-27(12-4-5-13(21)14(22)9-12)17-8-6-15-18(26-17)30-20(24-15)25-16-7-3-11(10-23-16)19(28)29-2/h3-10H,1-2H3,(H,23,24,25)
InChIKeyOTVSYNCYPGRNJJ-UHFFFAOYSA-N
XLogP4.66
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate (CID 24772302) is methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(Nc2nc3ccc(N(C)c4ccc(F)c(F)c4)nc3s2)nc1.
What is the InChIKey of methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is OTVSYNCYPGRNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2S/c1-27(12-4-5-13(21)14(22)9-12)17-8-6-15-18(26-17)30-20(24-15)25-16-7-3-11(10-23-16)19(28)29-2/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate?
methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 427.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-(3,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 24772302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).