1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine

C83H121F3N10O5S2 — CID 157413497

About 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine

1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine (PubChem CID 157413497) has the molecular formula C83H121F3N10O5S2 and a molecular weight of 1460.07 g/mol. Its IUPAC name is 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine.

Molecular Properties

• Compound Name: 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine
• PubChem CID: 157413497
• Molecular Formula: C83H121F3N10O5S2
• Molecular Weight: 1460.07 g/mol
• Exact Mass: 1458.89
• IUPAC Name: 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine
• SMILES: CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1cccc(C(C)C)c1.COc1ncc(C(C)C)s1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/C10H14O.C9H10F3NO.2C9H13N.C8H12N2O.C8H12N2.C8H13N.C8H12O.C7H11NOS.C7H11NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;2*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8;1-5(2)6-4-8-7(9-3)10-6;1-5(2)7-4-8-6(3)9-7/h4-8H,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3
• InChIKey: BOOIXHQCDQDAIW-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 192.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.07
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine?

The IUPAC name of 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine (CID 157413497) is 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine.

What is the SMILES notation for 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine?

The canonical SMILES for 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine is CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1cccc(C(C)C)c1.COc1ncc(C(C)C)s1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)s1.

What is the InChIKey of 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine?

The InChIKey is BOOIXHQCDQDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H10F3NO.2C9H13N.C8H12N2O.C8H12N2.C8H13N.C8H12O.C7H11NOS.C7H11NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;2*1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8;1-5(2)6-4-8-7(9-3)10-6;1-5(2)7-4-8-6(3)9-7/h4-8H,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,1-3H3.

What are the key properties of 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine?

1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine has a molecular weight of 1460.07 g/mol, XLogP of 23.96, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 157413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).