5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

C13H10F2N4S — CID 87812387

IUPAC5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1cc2nc(N)sc2nc1Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4S/c1-6-4-10-12(20-13(16)18-10)19-11(6)17-9-3-2-7(14)5-8(9)15/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyDKOJJVLCBNGQFC-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.60
Rot. Bonds2

About 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 87812387) has the molecular formula C13H10F2N4S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID87812387
Molecular FormulaC13H10F2N4S
Molecular Weight292.31 g/mol
Exact Mass292.06
IUPAC Name5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1cc2nc(N)sc2nc1Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4S/c1-6-4-10-12(20-13(16)18-10)19-11(6)17-9-3-2-7(14)5-8(9)15/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyDKOJJVLCBNGQFC-UHFFFAOYSA-N
XLogP3.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 87812387) is 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is Cc1cc2nc(N)sc2nc1Nc1ccc(F)cc1F.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is DKOJJVLCBNGQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4S/c1-6-4-10-12(20-13(16)18-10)19-11(6)17-9-3-2-7(14)5-8(9)15/h2-5H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 292.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-6-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 87812387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).