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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCc1ccc(F)cc1-c1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1
InChIInChI=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
InChIKeyILSOGPMRMHDIRM-WNEYBHKTSA-N
MW433.50 g/mol
LogP5.00
Rot. Bonds4

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 Name5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID123752112
Molecular FormulaC25H20FNO3S
Molecular Weight433.50 g/mol
Exact Mass433.11
IUPAC Name5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESCc1ccc(F)cc1-c1cccc2c1CC[C@H]2Oc1ccc(C2=CC(=O)NS2=O)cc1
InChIInChI=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
InChIKeyILSOGPMRMHDIRM-WNEYBHKTSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.00
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-(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).

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