cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C164H295N19O7S10 — CID 159543892

About cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159543892) has the molecular formula C164H295N19O7S10 and a molecular weight of 2965.96 g/mol. Its IUPAC name is cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 159543892
• Molecular Formula: C164H295N19O7S10
• Molecular Weight: 2965.96 g/mol
• Exact Mass: 2963.05
• IUPAC Name: cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(N)n1.CC(C)c1csc(NCC2CCCO2)n1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C11H18N2OS.C9H12.C8H13NO2S2.3C8H11N.3C7H10N2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS.C5H10.20CH4/c1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-9-6(7)8-5;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4-5(2)3;;;;;;;;;;;;;;;;;;;;/h7-9H,3-6H2,1-2H3,(H,12,13);3-8H,1-2H3;4,6H,5H2,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;4-5,9H,3H2,1-2H3;4-5H,1-3H3;4*3-6H,1-2H3;3-4H,1-2H3,(H2,7,8);3*3-5H,1-2H3;4-5H,1H2,2-3H3;20*1H4
• InChIKey: MENYRLHSBLZOBH-UHFFFAOYSA-N
• XLogP: 56.51
• TPSA: 360.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2965.96
LogP ≤ 5	56.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159543892) is cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(N)n1.CC(C)c1csc(NCC2CCCO2)n1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1nc(C(C)C)cs1.

What is the InChIKey of cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is MENYRLHSBLZOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.C9H12.C8H13NO2S2.3C8H11N.3C7H10N2.C7H11NOS.C7H11NS.2C7H10O.2C7H10S.C6H10N2S.C6H9NO.2C6H9NS.C5H10.20CH4/c1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-9-6(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-3-9-6(7)8-5;2*1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4-5(2)3;;;;;;;;;;;;;;;;;;;;/h7-9H,3-6H2,1-2H3,(H,12,13);3-8H,1-2H3;4,6H,5H2,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;4-5,9H,3H2,1-2H3;4-5H,1-3H3;4*3-6H,1-2H3;3-4H,1-2H3,(H2,7,8);3*3-5H,1-2H3;4-5H,1H2,2-3H3;20*1H4.

What are the key properties of cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 2965.96 g/mol, XLogP of 56.51, 26 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;methane;3-methylbut-1-ene;2-methyl-4-propan-2-yl-1,3-thiazole;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazol-2-amine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159543892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).