cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine

C104H167N11OS2 — CID 158203095

About cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine

cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine (PubChem CID 158203095) has the molecular formula C104H167N11OS2 and a molecular weight of 1651.69 g/mol. Its IUPAC name is cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine.

Molecular Properties

• Compound Name: cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine
• PubChem CID: 158203095
• Molecular Formula: C104H167N11OS2
• Molecular Weight: 1651.69 g/mol
• Exact Mass: 1650.28
• IUPAC Name: cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine
• SMILES: C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C.Cc1ncccc1C(C)C
• InChI: InChI=1S/C13H20N2.C12H20N2S.C11H16N2O.C10H14.4C9H13N.C9H12.C8H13NS.5CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;;;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;9H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;5*1H4
• InChIKey: GBEFBDYEKVLZTP-UHFFFAOYSA-N
• XLogP: 30.84
• TPSA: 122.07 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1651.69
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine?

The IUPAC name of cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine (CID 158203095) is cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine.

What is the SMILES notation for cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine?

The canonical SMILES for cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine is C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C.Cc1ncccc1C(C)C.

What is the InChIKey of cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine?

The InChIKey is GBEFBDYEKVLZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H20N2S.C11H16N2O.C10H14.4C9H13N.C9H12.C8H13NS.5CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;;;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;9H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;5*1H4.

What are the key properties of cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine?

cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine has a molecular weight of 1651.69 g/mol, XLogP of 30.84, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine is sourced from PubChem (CID 158203095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).