2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine

C108H166N14O2S3 — CID 157258049

About 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine

2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine (PubChem CID 157258049) has the molecular formula C108H166N14O2S3 and a molecular weight of 1788.81 g/mol. Its IUPAC name is 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
• PubChem CID: 157258049
• Molecular Formula: C108H166N14O2S3
• Molecular Weight: 1788.81 g/mol
• Exact Mass: 1787.25
• IUPAC Name: 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
• SMILES: CC(C)(C)CCc1cccs1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccon1.CC(C)(C)Cc1noc(-c2ccccc2)n1.CC(C)(C)Cn1cccn1.Cc1cc(C)n(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)cs1.Cc1ncsc1CCC(C)(C)C.[C-]#[N+]c1ccc(C(C)(C)C)nc1
• InChI: InChI=1S/C13H16N2O.C10H18N2.C10H12N2.C10H17NS.3C10H15N.C10H16S.C9H15NS.C8H14N2.C8H13NO/c1-13(2,3)9-11-14-12(16-15-11)10-7-5-4-6-8-10;1-8-6-9(2)12(11-8)7-10(3,4)5;1-10(2,3)9-6-5-8(11-4)7-12-9;1-8-9(12-7-11-8)5-6-10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)7-6-9-5-4-8-11-9;1-7-10-8(6-11-7)5-9(2,3)4;1-8(2,3)7-10-6-4-5-9-10;1-8(2,3)6-7-4-5-10-9-7/h4-8H,9H2,1-3H3;6H,7H2,1-5H3;5-7H,1-3H3;7H,5-6H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5,8H,6-7H2,1-3H3;6H,5H2,1-4H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3
• InChIKey: AXCVREWBOSIDJV-UHFFFAOYSA-N
• XLogP: 31.20
• TPSA: 182.29 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.81
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?

The IUPAC name of 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine (CID 157258049) is 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine.

What is the SMILES notation for 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?

The canonical SMILES for 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine is CC(C)(C)CCc1cccs1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccon1.CC(C)(C)Cc1noc(-c2ccccc2)n1.CC(C)(C)Cn1cccn1.Cc1cc(C)n(CC(C)(C)C)n1.Cc1nc(CC(C)(C)C)cs1.Cc1ncsc1CCC(C)(C)C.[C-]#[N+]c1ccc(C(C)(C)C)nc1.

What is the InChIKey of 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?

The InChIKey is AXCVREWBOSIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C10H18N2.C10H12N2.C10H17NS.3C10H15N.C10H16S.C9H15NS.C8H14N2.C8H13NO/c1-13(2,3)9-11-14-12(16-15-11)10-7-5-4-6-8-10;1-8-6-9(2)12(11-8)7-10(3,4)5;1-10(2,3)9-6-5-8(11-4)7-12-9;1-8-9(12-7-11-8)5-6-10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)7-6-9-5-4-8-11-9;1-7-10-8(6-11-7)5-9(2,3)4;1-8(2,3)7-10-6-4-5-9-10;1-8(2,3)6-7-4-5-10-9-7/h4-8H,9H2,1-3H3;6H,7H2,1-5H3;5-7H,1-3H3;7H,5-6H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5,8H,6-7H2,1-3H3;6H,5H2,1-4H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3.

What are the key properties of 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?

2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine has a molecular weight of 1788.81 g/mol, XLogP of 31.20, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 157258049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).