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

C25H21NO4S — CID 123850309

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

5-[4-[[(1R)-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123850309) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-(4-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-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 123850309
• Molecular Formula: C25H21NO4S
• Molecular Weight: 431.51 g/mol
• Exact Mass: 431.12
• IUPAC Name: 5-[4-[[(1R)-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1
• InChI: InChI=1S/C25H21NO4S/c1-29-18-9-5-16(6-10-18)20-3-2-4-22-21(20)13-14-23(22)30-19-11-7-17(8-12-19)24-15-25(27)26-31(24)28/h2-12,15,23H,13-14H2,1H3,(H,26,27)/t23-,31?/m1/s1
• InChIKey: IMWLWXZUSPVTEI-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-(4-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-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 123850309) is 5-[4-[[(1R)-4-(4-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-(4-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-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is COc1ccc(-c2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)cc1.

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

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

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

5-[4-[[(1R)-4-(4-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-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123850309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).