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

C24H18FNO3S — CID 123424147

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

5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123424147) has the molecular formula C24H18FNO3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 123424147
• Molecular Formula: C24H18FNO3S
• Molecular Weight: 419.48 g/mol
• Exact Mass: 419.10
• IUPAC Name: 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5cccc(F)c5)cccc43)cc2)S(=O)N1
• InChI: InChI=1S/C24H18FNO3S/c25-17-4-1-3-16(13-17)19-5-2-6-21-20(19)11-12-22(21)29-18-9-7-15(8-10-18)23-14-24(27)26-30(23)28/h1-10,13-14,22H,11-12H2,(H,26,27)/t22-,30?/m1/s1
• InChIKey: MKLASCOOSPSSGY-VWRCBCJMSA-N
• XLogP: 4.69
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 123424147) is 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5cccc(F)c5)cccc43)cc2)S(=O)N1.

What is the InChIKey of 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The InChIKey is MKLASCOOSPSSGY-VWRCBCJMSA-N. The full InChI is InChI=1S/C24H18FNO3S/c25-17-4-1-3-16(13-17)19-5-2-6-21-20(19)11-12-22(21)29-18-9-7-15(8-10-18)23-14-24(27)26-30(23)28/h1-10,13-14,22H,11-12H2,(H,26,27)/t22-,30?/m1/s1.

What are the key properties of 5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

5-[4-[[(1R)-4-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 419.48 g/mol, XLogP of 4.69, 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-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123424147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).