(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C27H24N2O2S — CID 89128160

About (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 89128160) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

• Compound Name: (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
• PubChem CID: 89128160
• Molecular Formula: C27H24N2O2S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.16
• IUPAC Name: (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
• SMILES: Cc1ccc(-c2ccc([C@H]3c4cc(O)ccc4C[C@@]3(C)C(=O)Nc3nccs3)cc2)cc1
• InChI: InChI=1S/C27H24N2O2S/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24-23-15-22(30)12-11-21(23)16-27(24,2)25(31)29-26-28-13-14-32-26/h3-15,24,30H,16H2,1-2H3,(H,28,29,31)/t24-,27+/m0/s1
• InChIKey: OWZXXIADXFOKTA-RPLLCQBOSA-N
• XLogP: 6.16
• TPSA: 62.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?

The IUPAC name of (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 89128160) is (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

What is the SMILES notation for (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?

The canonical SMILES for (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is Cc1ccc(-c2ccc([C@H]3c4cc(O)ccc4C[C@@]3(C)C(=O)Nc3nccs3)cc2)cc1.

What is the InChIKey of (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?

The InChIKey is OWZXXIADXFOKTA-RPLLCQBOSA-N. The full InChI is InChI=1S/C27H24N2O2S/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24-23-15-22(30)12-11-21(23)16-27(24,2)25(31)29-26-28-13-14-32-26/h3-15,24,30H,16H2,1-2H3,(H,28,29,31)/t24-,27+/m0/s1.

What are the key properties of (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?

(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 89128160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).