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

C21H16FN3OS — CID 10915811

IUPAC5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3
InChIKeyJSDYTEOPJOVCPM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.69
Rot. Bonds3

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

5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one (PubChem CID 10915811) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
PubChem CID10915811
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
SMILESCc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1
InChIInChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3
InChIKeyJSDYTEOPJOVCPM-UHFFFAOYSA-N
XLogP4.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one (CID 10915811) is 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one is Cc1csc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)n(C)c2=O)n1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one?
The InChIKey is JSDYTEOPJOVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one?
5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 10915811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).