cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole

C121H184N22O3S2 — CID 158610129

About cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole

cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 158610129) has the molecular formula C121H184N22O3S2 and a molecular weight of 2059.09 g/mol. Its IUPAC name is cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole
• PubChem CID: 158610129
• Molecular Formula: C121H184N22O3S2
• Molecular Weight: 2059.09 g/mol
• Exact Mass: 2057.44
• IUPAC Name: cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole
• SMILES: CC(C)C1=NCC=C1.CC(C)C1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncns1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C10H15N.C9H12.4C8H11N.C8H16O.2C7H10N2.2C7H11N.C6H10N2S.2C6H10N2.C6H9NO.C5H8N2O.C5H8N2S/c1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5/h5-7H,1-4H3;3-8H,1-2H3;4*3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: HWSPPRAADPDWKM-UHFFFAOYSA-N
• XLogP: 33.20
• TPSA: 327.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.09
LogP ≤ 5	33.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole?

The IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole (CID 158610129) is cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole.

What is the SMILES notation for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole?

The canonical SMILES for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole is CC(C)C1=NCC=C1.CC(C)C1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncns1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1.Cc1nnc(C(C)C)s1.

What is the InChIKey of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole?

The InChIKey is HWSPPRAADPDWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12.4C8H11N.C8H16O.2C7H10N2.2C7H11N.C6H10N2S.2C6H10N2.C6H9NO.C5H8N2O.C5H8N2S/c1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-7-8-5/h5-7H,1-4H3;3-8H,1-2H3;4*3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole?

cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 2059.09 g/mol, XLogP of 33.20, 17 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 158610129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).