1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole

C55H95N9S3 — CID 159052732

About 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole

1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 159052732) has the molecular formula C55H95N9S3 and a molecular weight of 978.63 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole
• PubChem CID: 159052732
• Molecular Formula: C55H95N9S3
• Molecular Weight: 978.63 g/mol
• Exact Mass: 977.69
• IUPAC Name: 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)Cc1ccn(C(C)C)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1csc(C(C)C)n1.Cc1cc(CC(C)C)nn1C(C)C.Cc1nc(CC(C)C)cs1.Cc1ncc(CC(C)C)s1
• InChI: InChI=1S/C11H20N2.C10H18N2.C10H17NS.C8H14N2.2C8H13NS/c1-8(2)6-11-7-10(5)13(12-11)9(3)4;1-8(2)7-10-5-6-12(11-10)9(3)4;1-7(2)5-9-6-12-10(11-9)8(3)4;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-5-10-7(3)9-8;1-6(2)4-8-5-9-7(3)10-8/h7-9H,6H2,1-5H3;5-6,8-9H,7H2,1-4H3;6-8H,5H2,1-4H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3
• InChIKey: JXLYFUPZJDTQSE-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 92.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.63
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole?

The IUPAC name of 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole (CID 159052732) is 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole is CC(C)Cc1ccn(C(C)C)n1.CC(C)Cc1cn(C)cn1.CC(C)Cc1csc(C(C)C)n1.Cc1cc(CC(C)C)nn1C(C)C.Cc1nc(CC(C)C)cs1.Cc1ncc(CC(C)C)s1.

What is the InChIKey of 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole?

The InChIKey is JXLYFUPZJDTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C10H17NS.C8H14N2.2C8H13NS/c1-8(2)6-11-7-10(5)13(12-11)9(3)4;1-8(2)7-10-5-6-12(11-10)9(3)4;1-7(2)5-9-6-12-10(11-9)8(3)4;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-5-10-7(3)9-8;1-6(2)4-8-5-9-7(3)10-8/h7-9H,6H2,1-5H3;5-6,8-9H,7H2,1-4H3;6-8H,5H2,1-4H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3.

What are the key properties of 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole?

1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 978.63 g/mol, XLogP of 16.02, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159052732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).