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

C25H20FNO3S — CID 123752112

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

5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123752112) has the molecular formula C25H20FNO3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 123752112
• Molecular Formula: C25H20FNO3S
• Molecular Weight: 433.50 g/mol
• Exact Mass: 433.11
• IUPAC Name: 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: Cc1ccc(F)cc1-c1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1
• InChI: InChI=1S/C25H20FNO3S/c1-15-5-8-17(26)13-22(15)19-3-2-4-21-20(19)11-12-23(21)30-18-9-6-16(7-10-18)24-14-25(28)27-31(24)29/h2-10,13-14,23H,11-12H2,1H3,(H,27,28)/t23-,31?/m1/s1
• InChIKey: ILSOGPMRMHDIRM-WNEYBHKTSA-N
• XLogP: 5.00
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 123752112) is 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-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-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is Cc1ccc(F)cc1-c1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1.

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

The InChIKey is ILSOGPMRMHDIRM-WNEYBHKTSA-N. The full InChI is InChI=1S/C25H20FNO3S/c1-15-5-8-17(26)13-22(15)19-3-2-4-21-20(19)11-12-23(21)30-18-9-6-16(7-10-18)24-14-25(28)27-31(24)29/h2-10,13-14,23H,11-12H2,1H3,(H,27,28)/t23-,31?/m1/s1.

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

5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 433.50 g/mol, XLogP of 5.00, 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-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123752112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).