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

C25H21NO4S — CID 123212124

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

5-[4-[[(1R)-4-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123212124) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(3-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 123212124
• Molecular Formula: C25H21NO4S
• Molecular Weight: 431.51 g/mol
• Exact Mass: 431.12
• IUPAC Name: 5-[4-[[(1R)-4-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: COc1cccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1
• InChI: InChI=1S/C25H21NO4S/c1-29-19-5-2-4-17(14-19)20-6-3-7-22-21(20)12-13-23(22)30-18-10-8-16(9-11-18)24-15-25(27)26-31(24)28/h2-11,14-15,23H,12-13H2,1H3,(H,26,27)/t23-,31?/m1/s1
• InChIKey: HXJXXCCBEWWINO-WNEYBHKTSA-N
• XLogP: 4.56
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.51
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-(3-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 123212124) is 5-[4-[[(1R)-4-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is COc1cccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.

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

The InChIKey is HXJXXCCBEWWINO-WNEYBHKTSA-N. The full InChI is InChI=1S/C25H21NO4S/c1-29-19-5-2-4-17(14-19)20-6-3-7-22-21(20)12-13-23(22)30-18-10-8-16(9-11-18)24-15-25(27)26-31(24)28/h2-11,14-15,23H,12-13H2,1H3,(H,26,27)/t23-,31?/m1/s1.

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

5-[4-[[(1R)-4-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 431.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123212124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).