5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one

C27H24N2O4S — CID 123429748

About 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 123429748) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 123429748
• Molecular Formula: C27H24N2O4S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.15
• IUPAC Name: 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccc(OCC6CC6)nc5)cccc43)cc2)S(=O)N1
• InChI: InChI=1S/C27H24N2O4S/c30-26-14-25(34(31)29-26)18-6-9-20(10-7-18)33-24-12-11-22-21(2-1-3-23(22)24)19-8-13-27(28-15-19)32-16-17-4-5-17/h1-3,6-10,13-15,17,24H,4-5,11-12,16H2,(H,29,30)/t24-,34?/m1/s1
• InChIKey: NYSYPVIZRSQDFO-CPPKSAKYSA-N
• XLogP: 4.74
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 123429748) is 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-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-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(c2ccc(O[C@@H]3CCc4c(-c5ccc(OCC6CC6)nc5)cccc43)cc2)S(=O)N1.

What is the InChIKey of 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The InChIKey is NYSYPVIZRSQDFO-CPPKSAKYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c30-26-14-25(34(31)29-26)18-6-9-20(10-7-18)33-24-12-11-22-21(2-1-3-23(22)24)19-8-13-27(28-15-19)32-16-17-4-5-17/h1-3,6-10,13-15,17,24H,4-5,11-12,16H2,(H,29,30)/t24-,34?/m1/s1.

What are the key properties of 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one?

5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 472.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 123429748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).