5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one

C23H22F2N2O3S — CID 90941379

About 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 90941379) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
• PubChem CID: 90941379
• Molecular Formula: C23H22F2N2O3S
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.13
• IUPAC Name: 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
• SMILES: O=c1[nH]c(O)c(C2CCc3cc(OC4CCCN(c5cc(F)cc(F)c5)C4)ccc32)s1
• InChI: InChI=1S/C23H22F2N2O3S/c24-14-9-15(25)11-16(10-14)27-7-1-2-18(12-27)30-17-4-6-19-13(8-17)3-5-20(19)21-22(28)26-23(29)31-21/h4,6,8-11,18,20,28H,1-3,5,7,12H2,(H,26,29)
• InChIKey: ZGIDBPRUKYUBQR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 65.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?

The IUPAC name of 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 90941379) is 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one.

What is the SMILES notation for 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?

The canonical SMILES for 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(C2CCc3cc(OC4CCCN(c5cc(F)cc(F)c5)C4)ccc32)s1.

What is the InChIKey of 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?

The InChIKey is ZGIDBPRUKYUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c24-14-9-15(25)11-16(10-14)27-7-1-2-18(12-27)30-17-4-6-19-13(8-17)3-5-20(19)21-22(28)26-23(29)31-21/h4,6,8-11,18,20,28H,1-3,5,7,12H2,(H,26,29).

What are the key properties of 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?

5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 444.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90941379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).