1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one

C20H16N4OS — CID 10970438

IUPAC1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3
InChIKeyQAMANTJYKWSLNP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.94
Rot. Bonds3

About 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one (PubChem CID 10970438) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
PubChem CID10970438
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3
InChIKeyQAMANTJYKWSLNP-UHFFFAOYSA-N
XLogP3.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one?
The IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one (CID 10970438) is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one?
The canonical SMILES for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one is Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one?
The InChIKey is QAMANTJYKWSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one?
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one has a molecular weight of 360.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one is sourced from PubChem (CID 10970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).