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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine

C123H176F6N10O3S2 — CID 161399309

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 161399309) has the molecular formula C123H176F6N10O3S2 and a molecular weight of 2020.95 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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine.

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
• PubChem CID: 161399309
• Molecular Formula: C123H176F6N10O3S2
• Molecular Weight: 2020.95 g/mol
• Exact Mass: 2019.33
• 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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
• SMILES: C.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.CC(C)c1cnccc1C(F)(F)F.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C
• InChI: InChI=1S/C12H18N2O.C12H20N2S.C12H17NO.C11H16N2O.C10H11F3.3C10H14.C9H10F3N.C9H13N.C9H12.C8H13NS.CH4/c1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-7(2)8-5-3-4-6-9(8)10(11,12)13;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;/h3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;3-7H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;1H4
• InChIKey: VUAIDVZINHDCDH-UHFFFAOYSA-N
• XLogP: 35.53
• TPSA: 117.99 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.95
LogP ≤ 5	35.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine (CID 161399309) 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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine.

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine is C.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.CC(C)c1cnccc1C(F)(F)F.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?

The InChIKey is VUAIDVZINHDCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C12H20N2S.C12H17NO.C11H16N2O.C10H11F3.3C10H14.C9H10F3N.C9H13N.C9H12.C8H13NS.CH4/c1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-7(2)8-5-3-4-6-9(8)10(11,12)13;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6(3)9-7(4)10-8;/h3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;3-7H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine?

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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2020.95 g/mol, XLogP of 35.53, 14 rotatable bonds, 0 hydrogen bond donors, and 15 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-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 161399309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).