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

C112H164ClF3N8S2 — CID 167677004

About 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole (PubChem CID 167677004) has the molecular formula C112H164ClF3N8S2 and a molecular weight of 1779.18 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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole
• PubChem CID: 167677004
• Molecular Formula: C112H164ClF3N8S2
• Molecular Weight: 1779.18 g/mol
• Exact Mass: 1777.22
• IUPAC Name: 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.Cc1nn(C)cc1C(C)C
• InChI: InChI=1S/C11H15F.C11H16.C10H13Cl.2C10H13F.C10H14.C9H16N2.2C9H13N.C8H14N2.C8H13NS.C7H11NS/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;2*1-7(2)9-5-4-6-10-8(9)3;1-6(2)8-5-10(4)9-7(8)3;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-6(3)8-4-9-7/h5-7H,1-4H3;5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;6-7H,5H2,1-4H3;2*4-7H,1-3H3;5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3
• InChIKey: UYQINXPESYKBAD-UHFFFAOYSA-N
• XLogP: 35.07
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1779.18
LogP ≤ 5	35.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole (CID 167677004) is 4-chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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.Cc1nc(C)c(C(C)C)s1.Cc1ncccc1C(C)C.Cc1ncccc1C(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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole?

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

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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole has a molecular weight of 1779.18 g/mol, XLogP of 35.07, 13 rotatable bonds, 0 hydrogen bond donors, and 10 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;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;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;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 167677004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).