cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)

C146H232FN15O5S16 — CID 162195953

About cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)

cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene) (PubChem CID 162195953) has the molecular formula C146H232FN15O5S16 and a molecular weight of 2809.63 g/mol. Its IUPAC name is cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene).

Molecular Properties

• Compound Name: cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)
• PubChem CID: 162195953
• Molecular Formula: C146H232FN15O5S16
• Molecular Weight: 2809.63 g/mol
• Exact Mass: 2806.39
• IUPAC Name: cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)
• SMILES: C.C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N2CCCCC2)n1.CC(C)c1csc(Sc2ccccc2)n1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nccs1.CC1=NC(C(C)C)=CS1=O.CCc1nc(C(C)C)cs1.COCc1nc(C(C)C)cs1.COCc1nc(C(C)C)cs1.CSc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C12H13NS2.C11H18N2S.2C9H12.2C8H13NOS.C8H13NS.C7H10FNS.C7H12N2.2C7H11NOS.C7H11NS2.C7H11NS.C7H10O.2C7H10S.2C6H9NS.6CH4/c1-9(2)11-8-14-12(13-11)15-10-6-4-3-5-7-10;1-9(2)10-8-14-11(12-10)13-6-4-3-5-7-13;2*1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-5-11-8(9-7)4-10-3;1-4-8-9-7(5-10-8)6(2)3;1-5(2)6-4-10-7(3-8)9-6;1-6(2)7-8-4-5-9(7)3;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-10(9)6(3)8-7;1-5(2)6-4-10-7(8-6)9-3;1-5(2)7-4-9-6(3)8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;;;/h3-9H,1-2H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-6H,1-3H3;4-5,9H,3H2,1-2H3;2*4-5H,1-3H3;4-5H,1-3H3;3*3-6H,1-2H3;2*3-5H,1-2H3;6*1H4
• InChIKey: ZQXZTOSSPUVCPI-UHFFFAOYSA-N
• XLogP: 50.71
• TPSA: 244.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.63
LogP ≤ 5	50.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)?

The IUPAC name of cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene) (CID 162195953) is cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene).

What is the SMILES notation for cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)?

The canonical SMILES for cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene) is C.C.C.C.C.C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N2CCCCC2)n1.CC(C)c1csc(Sc2ccccc2)n1.CC(C)c1cscn1.CC(C)c1nccn1C.CC(C)c1nccs1.CC1=NC(C(C)C)=CS1=O.CCc1nc(C(C)C)cs1.COCc1nc(C(C)C)cs1.COCc1nc(C(C)C)cs1.CSc1nc(C(C)C)cs1.Cc1nc(C(C)C)cs1.

What is the InChIKey of cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)?

The InChIKey is ZQXZTOSSPUVCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS2.C11H18N2S.2C9H12.2C8H13NOS.C8H13NS.C7H10FNS.C7H12N2.2C7H11NOS.C7H11NS2.C7H11NS.C7H10O.2C7H10S.2C6H9NS.6CH4/c1-9(2)11-8-14-12(13-11)15-10-6-4-3-5-7-10;1-9(2)10-8-14-11(12-10)13-6-4-3-5-7-13;2*1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-5-11-8(9-7)4-10-3;1-4-8-9-7(5-10-8)6(2)3;1-5(2)6-4-10-7(3-8)9-6;1-6(2)7-8-4-5-9(7)3;1-5(2)6-4-10-7(3-9)8-6;1-5(2)7-4-10(9)6(3)8-7;1-5(2)6-4-10-7(8-6)9-3;1-5(2)7-4-9-6(3)8-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;;;/h3-9H,1-2H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-6H,1-3H3;4-5,9H,3H2,1-2H3;2*4-5H,1-3H3;4-5H,1-3H3;3*3-6H,1-2H3;2*3-5H,1-2H3;6*1H4.

What are the key properties of cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene)?

cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene) has a molecular weight of 2809.63 g/mol, XLogP of 50.71, 29 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;methane;bis(2-(methoxymethyl)-4-propan-2-yl-1,3-thiazole);1-methyl-2-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole 1-oxide;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-phenylsulfanyl-4-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;bis(2-propan-2-ylthiophene) is sourced from PubChem (CID 162195953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).