4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one

C19H14F3NO4S — CID 91477940

About 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one (PubChem CID 91477940) has the molecular formula C19H14F3NO4S and a molecular weight of 409.39 g/mol. Its IUPAC name is 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one
• PubChem CID: 91477940
• Molecular Formula: C19H14F3NO4S
• Molecular Weight: 409.39 g/mol
• Exact Mass: 409.06
• IUPAC Name: 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one
• SMILES: O=c1[nH]c(O)c([C@@H]2CCc3cc(Oc4ccccc4OC(F)(F)F)ccc32)s1
• InChI: InChI=1S/C19H14F3NO4S/c20-19(21,22)27-15-4-2-1-3-14(15)26-11-6-8-12-10(9-11)5-7-13(12)16-17(24)23-18(25)28-16/h1-4,6,8-9,13,24H,5,7H2,(H,23,25)/t13-/m1/s1
• InChIKey: JJFOABGKJVVQNI-CYBMUJFWSA-N
• XLogP: 4.91
• TPSA: 71.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.39
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one (CID 91477940) is 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one.

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

The canonical SMILES for 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c([C@@H]2CCc3cc(Oc4ccccc4OC(F)(F)F)ccc32)s1.

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

The InChIKey is JJFOABGKJVVQNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H14F3NO4S/c20-19(21,22)27-15-4-2-1-3-14(15)26-11-6-8-12-10(9-11)5-7-13(12)16-17(24)23-18(25)28-16/h1-4,6,8-9,13,24H,5,7H2,(H,23,25)/t13-/m1/s1.

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

4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one has a molecular weight of 409.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91477940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).