4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium

C71H89N7NiO3Pd2RhS3-4 — CID 157097032

About 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium

4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium (PubChem CID 157097032) has the molecular formula C71H89N7NiO3Pd2RhS3-4 and a molecular weight of 1559.18 g/mol. Its IUPAC name is 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium.

Molecular Properties

• Compound Name: 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium
• PubChem CID: 157097032
• Molecular Formula: C71H89N7NiO3Pd2RhS3-4
• Molecular Weight: 1559.18 g/mol
• Exact Mass: 1556.27
• IUPAC Name: 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium
• SMILES: CC1(Cc2csc(Oc3[c-]cccc3)n2)CCCC1.CCC(c1ncc(-c2ncco2)c([S-])n1)C1(C)CCCCC1.CCC1(Cc2cc[c-]c(C(C)(C)c3coc(C)n3)c2)CCCC1.Cn1ccnc1-c1cc(CC2(C)CCCC2)ccc1[S-].[Ni].[Pd].[Pd].[Rh]
• InChI: InChI=1S/C21H28NO.C17H23N3OS.C17H22N2S.C16H18NOS.Ni.2Pd.Rh/c1-5-21(11-6-7-12-21)14-17-9-8-10-18(13-17)20(3,4)19-15-23-16(2)22-19;1-3-13(17(2)7-5-4-6-8-17)14-19-11-12(16(22)20-14)15-18-9-10-21-15;1-17(7-3-4-8-17)12-13-5-6-15(20)14(11-13)16-18-9-10-19(16)2;1-16(9-5-6-10-16)11-13-12-19-15(17-13)18-14-7-3-2-4-8-14;;;;/h8-9,13,15H,5-7,11-12,14H2,1-4H3;9-11,13H,3-8H2,1-2H3,(H,19,20,22);5-6,9-11,20H,3-4,7-8,12H2,1-2H3;2-4,7,12H,5-6,9-11H2,1H3;;;;/q-1;;;-1;;;;/p-2
• InChIKey: MSTBBDJVMNQMFO-UHFFFAOYSA-L
• XLogP: 19.09
• TPSA: 117.78 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.18
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium?

The IUPAC name of 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium (CID 157097032) is 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium.

What is the SMILES notation for 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium?

The canonical SMILES for 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium is CC1(Cc2csc(Oc3[c-]cccc3)n2)CCCC1.CCC(c1ncc(-c2ncco2)c([S-])n1)C1(C)CCCCC1.CCC1(Cc2cc[c-]c(C(C)(C)c3coc(C)n3)c2)CCCC1.Cn1ccnc1-c1cc(CC2(C)CCCC2)ccc1[S-].[Ni].[Pd].[Pd].[Rh].

What is the InChIKey of 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium?

The InChIKey is MSTBBDJVMNQMFO-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H28NO.C17H23N3OS.C17H22N2S.C16H18NOS.Ni.2Pd.Rh/c1-5-21(11-6-7-12-21)14-17-9-8-10-18(13-17)20(3,4)19-15-23-16(2)22-19;1-3-13(17(2)7-5-4-6-8-17)14-19-11-12(16(22)20-14)15-18-9-10-21-15;1-17(7-3-4-8-17)12-13-5-6-15(20)14(11-13)16-18-9-10-19(16)2;1-16(9-5-6-10-16)11-13-12-19-15(17-13)18-14-7-3-2-4-8-14;;;;/h8-9,13,15H,5-7,11-12,14H2,1-4H3;9-11,13H,3-8H2,1-2H3,(H,19,20,22);5-6,9-11,20H,3-4,7-8,12H2,1-2H3;2-4,7,12H,5-6,9-11H2,1H3;;;;/q-1;;;-1;;;;/p-2.

What are the key properties of 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium?

4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium has a molecular weight of 1559.18 g/mol, XLogP of 19.09, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[(1-ethylcyclopentyl)methyl]benzene-6-id-1-yl]propan-2-yl]-2-methyl-1,3-oxazole;2-[1-(1-methylcyclohexyl)propyl]-5-(1,3-oxazol-2-yl)pyrimidine-4-thiolate;4-[(1-methylcyclopentyl)methyl]-2-(1-methylimidazol-2-yl)benzenethiolate;4-[(1-methylcyclopentyl)methyl]-2-(phenoxy)-1,3-thiazole;nickel;bis(palladium);rhodium is sourced from PubChem (CID 157097032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).