4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine

C90H140N8OS2 — CID 157338189

About 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine

4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine (PubChem CID 157338189) has the molecular formula C90H140N8OS2 and a molecular weight of 1414.30 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine
• PubChem CID: 157338189
• Molecular Formula: C90H140N8OS2
• Molecular Weight: 1414.30 g/mol
• Exact Mass: 1413.06
• IUPAC Name: 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine
• SMILES: Cc1c(C)c(C)c(C(C)C)c(C)c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C(C)C)nc(C)c1C.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)c(C)c1C.Cc1nc(C)c(C)c(C(C)C)c1C.Cc1onc(C(C)C)c1C
• InChI: InChI=1S/C14H19NS.C14H22.3C12H19N.C10H16N2.C8H13NO.C8H13NS/c1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)14-12(6)10(4)9(3)11(5)13(14)7;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-7(2)12-9(4)8(3)10(5)13-11(12)6;1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-11-8(4)7(3)9(5)12-10;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-9-6(3)7(4)10-8/h7H,1-6H3;8H,1-7H3;3*7H,1-6H3;6H,1-5H3;2*5H,1-4H3
• InChIKey: BGBWYWXAEOHRGT-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 116.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.30
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine?

The IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine (CID 157338189) is 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine.

What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine?

The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine is Cc1c(C)c(C)c(C(C)C)c(C)c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C(C)C)nc(C)c1C.Cc1nc(C(C)C)sc1C.Cc1nc(C)c(C(C)C)c(C)c1C.Cc1nc(C)c(C)c(C(C)C)c1C.Cc1onc(C(C)C)c1C.

What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine?

The InChIKey is BGBWYWXAEOHRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS.C14H22.3C12H19N.C10H16N2.C8H13NO.C8H13NS/c1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)14-12(6)10(4)9(3)11(5)13(14)7;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-7(2)12-9(4)8(3)10(5)13-11(12)6;1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-11-8(4)7(3)9(5)12-10;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-9-6(3)7(4)10-8/h7H,1-6H3;8H,1-7H3;3*7H,1-6H3;6H,1-5H3;2*5H,1-4H3.

What are the key properties of 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine?

4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine has a molecular weight of 1414.30 g/mol, XLogP of 27.14, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-3-propan-2-yl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;4,5,6-trimethyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 157338189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).