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

C24H19NO2S — CID 67973087

IUPAC5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESO=c1cc(-c2ccc(O[C@@H]3CCc4c(-c5ccccc5)cccc43)cc2)s[nH]1
InChIInChI=1S/C24H19NO2S/c26-24-15-23(28-25-24)17-9-11-18(12-10-17)27-22-14-13-20-19(7-4-8-21(20)22)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2,(H,25,26)/t22-/m1/s1
InChIKeyHOVDOHHUOLFSBI-JOCHJYFZSA-N
MW385.49 g/mol
LogP5.84
Rot. Bonds4

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

5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 67973087) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
PubChem CID67973087
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESO=c1cc(-c2ccc(O[C@@H]3CCc4c(-c5ccccc5)cccc43)cc2)s[nH]1
InChIInChI=1S/C24H19NO2S/c26-24-15-23(28-25-24)17-9-11-18(12-10-17)27-22-14-13-20-19(7-4-8-21(20)22)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2,(H,25,26)/t22-/m1/s1
InChIKeyHOVDOHHUOLFSBI-JOCHJYFZSA-N
XLogP5.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 67973087) is 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is O=c1cc(-c2ccc(O[C@@H]3CCc4c(-c5ccccc5)cccc43)cc2)s[nH]1.
What is the InChIKey of 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The InChIKey is HOVDOHHUOLFSBI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-24-15-23(28-25-24)17-9-11-18(12-10-17)27-22-14-13-20-19(7-4-8-21(20)22)16-5-2-1-3-6-16/h1-12,15,22H,13-14H2,(H,25,26)/t22-/m1/s1.
What are the key properties of 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 385.49 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 67973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).