actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene

C104H174Ac2FN15O4S14 — CID 158203926

About actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene

actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene (PubChem CID 158203926) has the molecular formula C104H174Ac2FN15O4S14 and a molecular weight of 2620.57 g/mol. Its IUPAC name is actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene.

Molecular Properties

• Compound Name: actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene
• PubChem CID: 158203926
• Molecular Formula: C104H174Ac2FN15O4S14
• Molecular Weight: 2620.57 g/mol
• Exact Mass: 2618.05
• IUPAC Name: actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.CCc1nc(C)cs1.CSc1nc(C)cs1.Cc1ccccc1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1csc(CF)n1.Cc1csc(CO)n1.Cc1csc(CO)n1.Cc1csc(CO)n1.Cc1csc(N2CCCCC2)n1.Cc1cscn1.Cc1nccn1C.Cc1nccs1.[Ac].[Ac]
• InChI: InChI=1S/C9H14N2S.C7H8.C6H9NS.C6H7N.C5H6FNS.C5H8N2.3C5H7NOS.C5H7NS2.2C5H7NS.C5H6O.2C5H6S.2C4H5NS.13CH4.2Ac/c1-8-7-12-9(10-8)11-5-3-2-4-6-11;1-7-5-3-2-4-6-7;1-3-6-7-5(2)4-8-6;1-6-3-2-4-7-5-6;1-4-3-8-5(2-6)7-4;1-5-6-3-4-7(5)2;3*1-4-3-8-5(2-7)6-4;1-4-3-8-5(6-4)7-2;2*1-4-3-7-5(2)6-4;3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;/h7H,2-6H2,1H3;2-6H,1H3;4H,3H2,1-2H3;2-5H,1H3;3H,2H2,1H3;3-4H,1-2H3;3*3,7H,2H2,1H3;3H,1-2H3;2*3H,1-2H3;3*2-4H,1H3;2*2-3H,1H3;13*1H4
• InChIKey: CKRWAQCVSHWITD-UHFFFAOYSA-N
• XLogP: 35.89
• TPSA: 249.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 7
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2620.57
LogP ≤ 5	35.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene?

The IUPAC name of actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene (CID 158203926) is actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene.

What is the SMILES notation for actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene?

The canonical SMILES for actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene is C.C.C.C.C.C.C.C.C.C.C.C.C.CCc1nc(C)cs1.CSc1nc(C)cs1.Cc1ccccc1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1csc(C)n1.Cc1csc(C)n1.Cc1csc(CF)n1.Cc1csc(CO)n1.Cc1csc(CO)n1.Cc1csc(CO)n1.Cc1csc(N2CCCCC2)n1.Cc1cscn1.Cc1nccn1C.Cc1nccs1.[Ac].[Ac].

What is the InChIKey of actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene?

The InChIKey is CKRWAQCVSHWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C7H8.C6H9NS.C6H7N.C5H6FNS.C5H8N2.3C5H7NOS.C5H7NS2.2C5H7NS.C5H6O.2C5H6S.2C4H5NS.13CH4.2Ac/c1-8-7-12-9(10-8)11-5-3-2-4-6-11;1-7-5-3-2-4-6-7;1-3-6-7-5(2)4-8-6;1-6-3-2-4-7-5-6;1-4-3-8-5(2-6)7-4;1-5-6-3-4-7(5)2;3*1-4-3-8-5(2-7)6-4;1-4-3-8-5(6-4)7-2;2*1-4-3-7-5(2)6-4;3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;/h7H,2-6H2,1H3;2-6H,1H3;4H,3H2,1-2H3;2-5H,1H3;3H,2H2,1H3;3-4H,1-2H3;3*3,7H,2H2,1H3;3H,1-2H3;2*3H,1-2H3;3*2-4H,1H3;2*2-3H,1H3;13*1H4;;.

What are the key properties of actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene?

actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene has a molecular weight of 2620.57 g/mol, XLogP of 35.89, 7 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;1,2-dimethylimidazole;bis(2,4-dimethyl-1,3-thiazole);2-ethyl-4-methyl-1,3-thiazole;2-(fluoromethyl)-4-methyl-1,3-thiazole;methane;2-methylfuran;4-methyl-2-methylsulfanyl-1,3-thiazole;4-methyl-2-piperidin-1-yl-1,3-thiazole;3-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;tris((4-methyl-1,3-thiazol-2-yl)methanol);bis(2-methylthiophene);toluene is sourced from PubChem (CID 158203926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).