1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

C24H17F3N2O3S — CID 67986909

IUPAC1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5cccnc5C(F)(F)F)cccc43)cc2)S(=O)N1
InChIInChI=1S/C24H17F3N2O3S/c25-24(26,27)23-19(5-2-12-28-23)16-3-1-4-18-17(16)10-11-20(18)32-15-8-6-14(7-9-15)21-13-22(30)29-33(21)31/h1-9,12-13,20H,10-11H2,(H,29,30)/t20-,33?/m1/s1
InChIKeyORDIYBHHXIHFPU-SMAGUSHISA-N
MW470.47 g/mol
LogP4.97
Rot. Bonds4

About 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 67986909) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
PubChem CID67986909
Molecular FormulaC24H17F3N2O3S
Molecular Weight470.47 g/mol
Exact Mass470.09
IUPAC Name1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5cccnc5C(F)(F)F)cccc43)cc2)S(=O)N1
InChIInChI=1S/C24H17F3N2O3S/c25-24(26,27)23-19(5-2-12-28-23)16-3-1-4-18-17(16)10-11-20(18)32-15-8-6-14(7-9-15)21-13-22(30)29-33(21)31/h1-9,12-13,20H,10-11H2,(H,29,30)/t20-,33?/m1/s1
InChIKeyORDIYBHHXIHFPU-SMAGUSHISA-N
XLogP4.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 67986909) is 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5cccnc5C(F)(F)F)cccc43)cc2)S(=O)N1.
What is the InChIKey of 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The InChIKey is ORDIYBHHXIHFPU-SMAGUSHISA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c25-24(26,27)23-19(5-2-12-28-23)16-3-1-4-18-17(16)10-11-20(18)32-15-8-6-14(7-9-15)21-13-22(30)29-33(21)31/h1-9,12-13,20H,10-11H2,(H,29,30)/t20-,33?/m1/s1.
What are the key properties of 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 470.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[4-[[(1R)-4-[2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 67986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).