1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one

C23H16F4N2O2S — CID 67257077

IUPAC1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCC(C)(O)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)s1
InChIInChI=1S/C23H16F4N2O2S/c1-23(2,31)22-28-19(21(32-22)14-8-7-13(24)10-17(14)27)12-6-9-18(30)29(11-12)20-15(25)4-3-5-16(20)26/h3-11,31H,1-2H3
InChIKeyOWYBGMVCHDIDQL-UHFFFAOYSA-N
MW460.45 g/mol
LogP5.41
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one (PubChem CID 67257077) has the molecular formula C23H16F4N2O2S and a molecular weight of 460.45 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one
PubChem CID67257077
Molecular FormulaC23H16F4N2O2S
Molecular Weight460.45 g/mol
Exact Mass460.09
IUPAC Name1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCC(C)(O)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)s1
InChIInChI=1S/C23H16F4N2O2S/c1-23(2,31)22-28-19(21(32-22)14-8-7-13(24)10-17(14)27)12-6-9-18(30)29(11-12)20-15(25)4-3-5-16(20)26/h3-11,31H,1-2H3
InChIKeyOWYBGMVCHDIDQL-UHFFFAOYSA-N
XLogP5.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one (CID 67257077) is 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one is CC(C)(O)c1nc(-c2ccc(=O)n(-c3c(F)cccc3F)c2)c(-c2ccc(F)cc2F)s1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The InChIKey is OWYBGMVCHDIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2S/c1-23(2,31)22-28-19(21(32-22)14-8-7-13(24)10-17(14)27)12-6-9-18(30)29(11-12)20-15(25)4-3-5-16(20)26/h3-11,31H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one has a molecular weight of 460.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67257077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).