Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)

C₁₇₃H₂₉₃Ac₂FN₂₀O₅S₁₇ — CID 161157122

About Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)

Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene) (PubChem CID 161157122) has the molecular formula C₁₇₃H₂₉₃Ac₂FN₂₀O₅S₁₇ and a molecular weight of 3751.52 g/mol. Its IUPAC name is actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene).

Molecular Properties

• Compound Name: Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)
• PubChem CID: 161157122
• Molecular Formula: C₁₇₃H₂₉₃Ac₂FN₂₀O₅S₁₇
• Molecular Weight: 3751.52 g/mol
• Exact Mass: 3747.91
• IUPAC Name: actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N2CCCCC2)n1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nccs1.CCc1nc(C(C)C)cs1.CSc1nc(C(C)C)cs1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.[Ac].[Ac]
• InChI: InChI=1S/C11H18N2S.C9H12.C8H13NS.2C8H11N.C7H10FNS.C7H12N2.3C7H11NOS.C7H11NO.C7H11NS2.5C7H11NS.C7H10O.2C7H10S.2C6H9NS.12CH4.2Ac/c1-9(2)10-8-14-11(12-10)13-6-4-3-5-7-13;1-8(2)9-6-4-3-5-7-9;1-4-8-9-7(5-10-8)6(2)3;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-4-10-7(3-8)9-6;1-6(2)7-8-4-5-9(7)3;3*1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-5(2)6-4-10-7(8-6)9-3;5*1-5(2)7-4-9-6(3)8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;/h8-9H,3-7H2,1-2H3;3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;4-5H,3H2,1-2H3;4-6H,1-3H3;3*4-5,9H,3H2,1-2H3;4-5H,1-3H3;4-5H,1-3H3;5*4-5H,1-3H3;3*3-6H,1-2H3;2*3-5H,1-2H3;12*1H4
• InChIKey: IPRAHBZONGZNMA-UHFFFAOYSA-N
• XLogP: 61.14
• TPSA: 327.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3751.52
LogP ≤ 5	61.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)?

The IUPAC name of Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene) (CID 161157122) is actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene).

What is the SMILES notation for Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)?

The canonical SMILES for Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene) is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N2CCCCC2)n1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nccs1.CCc1nc(C(C)C)cs1.CSc1nc(C(C)C)cs1.Cc1nc(C(C)C)co1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.[Ac].[Ac].

What is the InChIKey of Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)?

The InChIKey is IPRAHBZONGZNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.C9H12.C8H13NS.2C8H11N.C7H10FNS.C7H12N2.3C7H11NOS.C7H11NO.C7H11NS2.5C7H11NS.C7H10O.2C7H10S.2C6H9NS.12CH4.2Ac/c1-9(2)10-8-14-11(12-10)13-6-4-3-5-7-13;1-8(2)9-6-4-3-5-7-9;1-4-8-9-7(5-10-8)6(2)3;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-4-10-7(3-8)9-6;1-6(2)7-8-4-5-9(7)3;3*1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-5(2)6-4-10-7(8-6)9-3;5*1-5(2)7-4-9-6(3)8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;;;;;;;;;;;/h8-9H,3-7H2,1-2H3;3-8H,1-2H3;5-6H,4H2,1-3H3;2*3-7H,1-2H3;4-5H,3H2,1-2H3;4-6H,1-3H3;3*4-5,9H,3H2,1-2H3;4-5H,1-3H3;4-5H,1-3H3;5*4-5H,1-3H3;3*3-6H,1-2H3;2*3-5H,1-2H3;12*1H4;;.

What are the key properties of Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene)?

Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene) has a molecular weight of 3751.52 g/mol, XLogP of 61.14, 29 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for Actinium;cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-oxazole;pentakis(2-methyl-4-propan-2-yl-1,3-thiazole);2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;tris((4-propan-2-yl-1,3-thiazol-2-yl)methanol);bis(2-propan-2-ylthiophene) is sourced from PubChem (CID 161157122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161157122 — identifiers, structure, computed properties (public domain)

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