5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one

C25H20F3N3OS — CID 66670119

IUPAC5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)sc2-c2ccc(F)cc2F)cn1-c1ccccc1F
InChIInChI=1S/C25H20F3N3OS/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2
InChIKeyWHKCASYZJCEVEB-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.51
Rot. Bonds4

About 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one

5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one (PubChem CID 66670119) has the molecular formula C25H20F3N3OS and a molecular weight of 467.52 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
PubChem CID66670119
Molecular FormulaC25H20F3N3OS
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(C3CCNCC3)sc2-c2ccc(F)cc2F)cn1-c1ccccc1F
InChIInChI=1S/C25H20F3N3OS/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2
InChIKeyWHKCASYZJCEVEB-UHFFFAOYSA-N
XLogP5.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2,4-difluorophenyl)-2-(thian-4-yl)-1,3-thiazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67253836
1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one
CID 149191220
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-oxazol-4-yl]pyridin-2-one
CID 59009932
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one
CID 67257077
2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
CID 143452203
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
CID 143451926
5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 11691162
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 22486134
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486140
5-[5-(2,4-difluorophenyl)-2-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one (CID 66670119) is 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one is O=c1ccc(-c2nc(C3CCNCC3)sc2-c2ccc(F)cc2F)cn1-c1ccccc1F.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
The InChIKey is WHKCASYZJCEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3OS/c26-17-6-7-18(20(28)13-17)24-23(30-25(33-24)15-9-11-29-12-10-15)16-5-8-22(32)31(14-16)21-4-2-1-3-19(21)27/h1-8,13-15,29H,9-12H2.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one has a molecular weight of 467.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 66670119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).