4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)

C151H223ClF3N13S4 — CID 167710083

About 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)

4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole) (PubChem CID 167710083) has the molecular formula C151H223ClF3N13S4 and a molecular weight of 2441.25 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole).

Molecular Properties

• Compound Name: 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)
• PubChem CID: 167710083
• Molecular Formula: C151H223ClF3N13S4
• Molecular Weight: 2441.25 g/mol
• Exact Mass: 2438.64
• IUPAC Name: 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)
• SMILES: CCn1cc(C(C)C)c(C)n1.Cc1cc(C(C)C)c(C)cc1F.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccn(C)c1.Cc1nc(C)c(C(C)C)s1.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1ncsc1C(C)C.Cc1nn(C)cc1C(C)C
• InChI: InChI=1S/C11H15F.C11H16.C10H13Cl.2C10H13F.C10H14.C9H16N2.4C9H13N.C8H14N2.2C8H13NS.2C7H11NS.C6H9N/c1-7(2)10-5-9(4)11(12)6-8(10)3;1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)10-7-5-4-6-9(10)3;1-5-11-6-9(7(2)3)8(4)10-11;4*1-7(2)9-5-4-6-10-8(9)3;1-6(2)8-5-10(4)9-7(8)3;2*1-5(2)8-6(3)9-7(4)10-8;2*1-5(2)7-6(3)8-4-9-7;1-6-3-4-7(2)5-6/h5-7H,1-4H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;4*4-7H,1-3H3;5-6H,1-4H3;2*5H,1-4H3;2*4-5H,1-3H3;3-5H,1-2H3
• InChIKey: ZRSMTKOMIWPCHL-UHFFFAOYSA-N
• XLogP: 46.89
• TPSA: 143.69 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2441.25
LogP ≤ 5	46.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)?

The IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole) (CID 167710083) is 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole).

What is the SMILES notation for 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)?

The canonical SMILES for 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole) is CCn1cc(C(C)C)c(C)n1.Cc1cc(C(C)C)c(C)cc1F.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ccn(C)c1.Cc1nc(C)c(C(C)C)s1.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1ncsc1C(C)C.Cc1nn(C)cc1C(C)C.

What is the InChIKey of 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)?

The InChIKey is ZRSMTKOMIWPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.C11H16.C10H13Cl.2C10H13F.C10H14.C9H16N2.4C9H13N.C8H14N2.2C8H13NS.2C7H11NS.C6H9N/c1-7(2)10-5-9(4)11(12)6-8(10)3;1-8(2)11-7-9(3)5-6-10(11)4;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)10-7-5-4-6-9(10)3;1-5-11-6-9(7(2)3)8(4)10-11;4*1-7(2)9-5-4-6-10-8(9)3;1-6(2)8-5-10(4)9-7(8)3;2*1-5(2)8-6(3)9-7(4)10-8;2*1-5(2)7-6(3)8-4-9-7;1-6-3-4-7(2)5-6/h5-7H,1-4H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;4*4-7H,1-3H3;5-6H,1-4H3;2*5H,1-4H3;2*4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)?

4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole) has a molecular weight of 2441.25 g/mol, XLogP of 46.89, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 167710083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).