cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene

C139H209FN18O5S16 — CID 160745627

About cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene

cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene (PubChem CID 160745627) has the molecular formula C139H209FN18O5S16 and a molecular weight of 2744.39 g/mol. Its IUPAC name is cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene
• PubChem CID: 160745627
• Molecular Formula: C139H209FN18O5S16
• Molecular Weight: 2744.39 g/mol
• Exact Mass: 2741.22
• IUPAC Name: cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene
• SMILES: CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N(C)C)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
• InChI: InChI=1S/C12H13NS2.C11H18N2S.C9H12.C8H14N2S.2C8H13NOS.C8H13NS.C8H11N.C7H10FNS.C7H12N2.2C7H11NOS.C7H11NS2.C7H10O.C7H10S.3C6H9NS/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;1-8(2)9-6-4-3-5-7-9;1-6(2)7-5-11-8(9-7)10(3)4;2*1-6(2)7-5-11-8(9-7)4-10-3;1-4-8-9-7(5-10-8)6(2)3;1-7(2)8-4-3-5-9-6-8;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;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;5-6H,1-4H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,3H2,1-2H3;4-6H,1-3H3;4-5,9H,3H2,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;3*3-5H,1-2H3
• InChIKey: RWDSICWISLFZIP-UHFFFAOYSA-N
• XLogP: 45.44
• TPSA: 273.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2744.39
LogP ≤ 5	45.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene?

The IUPAC name of cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene (CID 160745627) is cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene.

What is the SMILES notation for cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene?

The canonical SMILES for cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene is CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1csc(CF)n1.CC(C)c1csc(CO)n1.CC(C)c1csc(N(C)C)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.

What is the InChIKey of cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene?

The InChIKey is RWDSICWISLFZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS2.C11H18N2S.C9H12.C8H14N2S.2C8H13NOS.C8H13NS.C8H11N.C7H10FNS.C7H12N2.2C7H11NOS.C7H11NS2.C7H10O.C7H10S.3C6H9NS/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;1-8(2)9-6-4-3-5-7-9;1-6(2)7-5-11-8(9-7)10(3)4;2*1-6(2)7-5-11-8(9-7)4-10-3;1-4-8-9-7(5-10-8)6(2)3;1-7(2)8-4-3-5-9-6-8;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;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;5-6H,1-4H3;2*5-6H,4H2,1-3H3;5-6H,4H2,1-3H3;3-7H,1-2H3;4-5H,3H2,1-2H3;4-6H,1-3H3;4-5,9H,3H2,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;3*3-5H,1-2H3.

What are the key properties of cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene?

cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene has a molecular weight of 2744.39 g/mol, XLogP of 45.44, 30 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;N,N-dimethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-ethyl-4-propan-2-yl-1,3-thiazole;2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole;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 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;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol;2-propan-2-ylthiophene is sourced from PubChem (CID 160745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).