cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C177H244FN25O2S7 — CID 159935772

About cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159935772) has the molecular formula C177H244FN25O2S7 and a molecular weight of 2997.54 g/mol. Its IUPAC name is cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 159935772
• Molecular Formula: C177H244FN25O2S7
• Molecular Weight: 2997.54 g/mol
• Exact Mass: 2994.78
• IUPAC Name: cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
• SMILES: CC(C)c1cc(C#N)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)n1.CC(C)c1ccccc1.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)c1nc2cccnc2s1.CC(C)c1ncc(F)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)sn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1coc(C(C)C)n1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/C10H15NS.C10H11N.C10H14.C9H10N2S.3C9H10N2.C9H13NS.5C9H13N.C9H12.C7H9FN2.C7H11NO.4C7H11NS.C6H10N2O/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-3-4-8(6-10)11-9;1-6(2)9-10-7-4-3-5-8(7)11-9;1-7(2)9-4-5-10-8(3)6-9;3*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-9-3-6(8)4-10-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-4(2)6-8-7-5(3)9-6/h7H,3-6H2,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;3-5,7H,1-2H3;6H,3-5H2,1-2H3;5*4-7H,1-3H3;3-8H,1-2H3;3-5H,1-2H3;5*4-5H,1-3H3;4H,1-3H3
• InChIKey: OAFROVNRLZXUPT-UHFFFAOYSA-N
• XLogP: 51.77
• TPSA: 392.13 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2997.54
LogP ≤ 5	51.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 159935772) is cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC(C)c1cc(C#N)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C#N)n1.CC(C)c1ccccc1.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.CC(C)c1nc2cccnc2s1.CC(C)c1ncc(F)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)sn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cnc(C(C)C)s1.Cc1coc(C(C)C)n1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)C)o1.

What is the InChIKey of cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is OAFROVNRLZXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.C10H11N.C10H14.C9H10N2S.3C9H10N2.C9H13NS.5C9H13N.C9H12.C7H9FN2.C7H11NO.4C7H11NS.C6H10N2O/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-3-4-8(6-10)11-9;1-6(2)9-10-7-4-3-5-8(7)11-9;1-7(2)9-4-5-10-8(3)6-9;3*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-9-3-6(8)4-10-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-4(2)6-8-7-5(3)9-6/h7H,3-6H2,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;3-5,7H,1-2H3;6H,3-5H2,1-2H3;5*4-7H,1-3H3;3-8H,1-2H3;3-5H,1-2H3;5*4-5H,1-3H3;4H,1-3H3.

What are the key properties of cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?

cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2997.54 g/mol, XLogP of 51.77, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;5-fluoro-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylbenzonitrile;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159935772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).