tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole

C114H159F3N16O4S7 — CID 159478825

About tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole

tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159478825) has the molecular formula C114H159F3N16O4S7 and a molecular weight of 2099.10 g/mol. Its IUPAC name is tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159478825
• Molecular Formula: C114H159F3N16O4S7
• Molecular Weight: 2099.10 g/mol
• Exact Mass: 2097.07
• IUPAC Name: tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole
• SMILES: CC1C2CN(C(=O)OC(C)(C)C)CC12.CCCC1CCCO1.CCCCOC.CCc1ccccn1.CCc1csc(C(C)C)n1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(C)s1.Cc1cnc2ccccn12.Cc1cnccc1C(F)(F)F.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1
• InChI: InChI=1S/C11H19NO2.2C9H10N2.C8H8N2.C8H7NS.C8H13NS.C7H6F3N.C7H11NS.C7H9N.C7H14O.C6H9NS.2C6H8S.C5H8N2.C5H7NS.C5H12O/c1-7-8-5-12(6-9(7)8)10(13)14-11(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;1-4-7-5-10-8(9-7)6(2)3;1-5-4-11-3-2-6(5)7(8,9)10;1-5(2)7-8-4-6(3)9-7;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-4-5(2)8-6(3)7-4;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-4-6-7(5)2;1-4-3-6-5(2)7-4;1-3-4-5-6-2/h7-9H,5-6H2,1-4H3;2*3-6H,1-2H3;2-6H,1H3;2-5H,1H3;5-6H,4H2,1-3H3;2-4H,1H3;4-5H,1-3H3;3-6H,2H2,1H3;7H,2-6H2,1H3;1-3H3;3*3-4H,1-2H3;3H,1-2H3;3-5H2,1-2H3
• InChIKey: LWSTZOTWMOEHNN-UHFFFAOYSA-N
• XLogP: 32.41
• TPSA: 207.95 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.10
LogP ≤ 5	32.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole (CID 159478825) is tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole is CC1C2CN(C(=O)OC(C)(C)C)CC12.CCCC1CCCO1.CCCCOC.CCc1ccccn1.CCc1csc(C(C)C)n1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(C)s1.Cc1cnc2ccccn12.Cc1cnccc1C(F)(F)F.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1.

What is the InChIKey of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is LWSTZOTWMOEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.2C9H10N2.C8H8N2.C8H7NS.C8H13NS.C7H6F3N.C7H11NS.C7H9N.C7H14O.C6H9NS.2C6H8S.C5H8N2.C5H7NS.C5H12O/c1-7-8-5-12(6-9(7)8)10(13)14-11(2,3)4;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-4-3-5-9-10-6-8(2)11(7)9;1-7-6-9-8-4-2-3-5-10(7)8;1-6-9-7-4-2-3-5-8(7)10-6;1-4-7-5-10-8(9-7)6(2)3;1-5-4-11-3-2-6(5)7(8,9)10;1-5(2)7-8-4-6(3)9-7;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-4-5(2)8-6(3)7-4;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-4-6-7(5)2;1-4-3-6-5(2)7-4;1-3-4-5-6-2/h7-9H,5-6H2,1-4H3;2*3-6H,1-2H3;2-6H,1H3;2-5H,1H3;5-6H,4H2,1-3H3;2-4H,1H3;4-5H,1-3H3;3-6H,2H2,1H3;7H,2-6H2,1H3;1-3H3;3*3-4H,1-2H3;3H,1-2H3;3-5H2,1-2H3.

What are the key properties of tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole?

tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 2099.10 g/mol, XLogP of 32.41, 9 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;1-methoxybutane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-4-(trifluoromethyl)pyridine;2-propyloxolane;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159478825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).