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

C69H112ClF3N6S3 — CID 160874274

About 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole

3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole (PubChem CID 160874274) has the molecular formula C69H112ClF3N6S3 and a molecular weight of 1214.34 g/mol. Its IUPAC name is 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole
• PubChem CID: 160874274
• Molecular Formula: C69H112ClF3N6S3
• Molecular Weight: 1214.34 g/mol
• Exact Mass: 1212.78
• IUPAC Name: 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)C1(C)CCCC1.CC(C)C1CCC(F)(F)C1.CC(C)C1CCCC1.CC(C)c1ccc(F)cc1.CC(C)c1ccn(C)n1.CC(C)c1cncc(Cl)c1.CC(C)c1nccs1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1
• InChI: InChI=1S/C9H11F.C9H18.C8H10ClN.C8H14F2.C8H16.C7H12N2.2C7H11NS.C6H9NS/c1-7(2)8-3-5-9(10)6-4-8;1-8(2)9(3)6-4-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9,10)5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3
• InChIKey: SMEDRYRLSHFWCT-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 69.38 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.34
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole (CID 160874274) is 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole.

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

The canonical SMILES for 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole is CC(C)C1(C)CCCC1.CC(C)C1CCC(F)(F)C1.CC(C)C1CCCC1.CC(C)c1ccc(F)cc1.CC(C)c1ccn(C)n1.CC(C)c1cncc(Cl)c1.CC(C)c1nccs1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.

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

The InChIKey is SMEDRYRLSHFWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C9H18.C8H10ClN.C8H14F2.C8H16.C7H12N2.2C7H11NS.C6H9NS/c1-7(2)8-3-5-9(10)6-4-8;1-8(2)9(3)6-4-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9,10)5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3.

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

3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole has a molecular weight of 1214.34 g/mol, XLogP of 23.90, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-propan-2-ylpyridine;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160874274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).