methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

C62H101F3N9OS3+ — CID 158050333

About methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 158050333) has the molecular formula C62H101F3N9OS3+ and a molecular weight of 1141.75 g/mol. Its IUPAC name is methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
• PubChem CID: 158050333
• Molecular Formula: C62H101F3N9OS3+
• Molecular Weight: 1141.75 g/mol
• Exact Mass: 1140.72
• IUPAC Name: methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
• SMILES: C.C.C.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccn[n+]1C1CCOCC1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1nc(C(F)(F)F)cs1.Cc1cnc(C(C)C)s1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/2C13H20N2.C12H19N2O.C7H8F3NS.2C7H11NS.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)12-4-3-7-13-14(12)11-5-8-15-9-6-11;1-4(2)6-11-5(3-12-6)7(8,9)10;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;;;/h2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7,10-11H,5-6,8-9H2,1-2H3;3-4H,1-2H3;2*4-5H,1-3H3;3*1H4/q;;+1
• InChIKey: ZFMMOXRTJSQWDY-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 96.93 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.75
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?

The IUPAC name of methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 158050333) is methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

What is the SMILES notation for methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?

The canonical SMILES for methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is C.C.C.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1cccn[n+]1C1CCOCC1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1nc(C(F)(F)F)cs1.Cc1cnc(C(C)C)s1.Cc1ncc(C(C)C)s1.

What is the InChIKey of methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?

The InChIKey is ZFMMOXRTJSQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2.C12H19N2O.C7H8F3NS.2C7H11NS.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)12-4-3-7-13-14(12)11-5-8-15-9-6-11;1-4(2)6-11-5(3-12-6)7(8,9)10;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-4-6(3)9-7;;;/h2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,7,10-11H,5-6,8-9H2,1-2H3;3-4H,1-2H3;2*4-5H,1-3H3;3*1H4/q;;+1;;;;;;.

What are the key properties of methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?

methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 1141.75 g/mol, XLogP of 18.58, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 158050333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).