tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole

C159H233F3N16O4S3 — CID 159624272

About tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole

tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole (PubChem CID 159624272) has the molecular formula C159H233F3N16O4S3 and a molecular weight of 2585.92 g/mol. Its IUPAC name is tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
• PubChem CID: 159624272
• Molecular Formula: C159H233F3N16O4S3
• Molecular Weight: 2585.92 g/mol
• Exact Mass: 2583.76
• IUPAC Name: tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
• SMILES: CC(C)(C)C1CCC1.CC(C)(C)c1ccc[nH]c1=O.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cncc(F)c1.CC(C)c1cncs1.COc1cncc(C(C)(C)C)c1.COc1cncc(C(C)C)c1.COc1ncccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)s1.Cc1ncsc1C(C)C
• InChI: InChI=1S/2C10H15NO.C10H15N.C10H14.2C9H11F.2C9H13NO.C9H12.C8H10FN.3C8H11N.C8H16.2C7H12N2.2C7H11NS.C6H9NS/c1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-9(11-3)6-10-5-8;1-9(2,3)7-5-4-6-10-8(7)11;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-3-7-4-8-6/h2*5-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3
• InChIKey: MOHBXEDWFVINGL-UHFFFAOYSA-N
• XLogP: 45.47
• TPSA: 237.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.92
LogP ≤ 5	45.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?

The IUPAC name of tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole (CID 159624272) is tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole is CC(C)(C)C1CCC1.CC(C)(C)c1ccc[nH]c1=O.CC(C)c1ccc(F)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cncc(F)c1.CC(C)c1cncs1.COc1cncc(C(C)(C)C)c1.COc1cncc(C(C)C)c1.COc1ncccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)s1.Cc1ncsc1C(C)C.

What is the InChIKey of tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?

The InChIKey is MOHBXEDWFVINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO.C10H15N.C10H14.2C9H11F.2C9H13NO.C9H12.C8H10FN.3C8H11N.C8H16.2C7H12N2.2C7H11NS.C6H9NS/c1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-9(11-3)6-10-5-8;1-9(2,3)7-5-4-6-10-8(7)11;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-3-7-4-8-6/h2*5-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;2*3-7H,1-2H3;4-7H,1-3H3;4-6H,1-3H3,(H,10,11);3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?

tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole has a molecular weight of 2585.92 g/mol, XLogP of 45.47, 17 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclobutane;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-1H-pyridin-2-one;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159624272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).