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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole

C107H145F3N16O4S7 — CID 161377253

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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole (PubChem CID 161377253) has the molecular formula C107H145F3N16O4S7 and a molecular weight of 2000.91 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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 161377253
• Molecular Formula: C107H145F3N16O4S7
• Molecular Weight: 2000.91 g/mol
• Exact Mass: 1998.96
• 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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole
• SMILES: CC1C2CN(C(=O)OC(C)(C)C)CC12.COC.C[C@H]1CCCO1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccccn1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(C)s1.Cc1cnc2ccccn12.Cc1cnccc1C(F)(F)F.Cc1csc(C(C)C)n1.Cc1nc(C)c(C)s1.Cc1nc2ccccc2s1
• InChI: InChI=1S/C11H19NO2.2C9H10N2.C8H8N2.C8H7NS.C7H6F3N.2C7H11NS.C6H9NS.C6H7N.2C6H8S.C5H8N2.C5H7NS.C5H10O.C2H6O/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;1-5-4-11-3-2-6(5)7(8,9)10;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-7-6;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;1-5-3-2-4-6-5;1-3-2/h7-9H,5-6H2,1-4H3;2*3-6H,1-2H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2*4-5H,1-3H3;1-3H3;2-5H,1H3;3*3-4H,1-2H3;3H,1-2H3;5H,2-4H2,1H3;1-2H3/t;;;;;;;;;;;;;;5-;/m..............0./s1
• InChIKey: VRFUODUKAVLCSE-QSNFRUEJSA-N
• XLogP: 29.95
• TPSA: 207.95 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 2
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.91
LogP ≤ 5	29.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole (CID 161377253) 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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole is CC1C2CN(C(=O)OC(C)(C)C)CC12.COC.C[C@H]1CCCO1.Cc1ccc(C)s1.Cc1ccc2ncc(C)n2c1.Cc1cccc2ncc(C)n12.Cc1ccccn1.Cc1ccnn1C.Cc1ccsc1C.Cc1cnc(C(C)C)s1.Cc1cnc(C)s1.Cc1cnc2ccccn12.Cc1cnccc1C(F)(F)F.Cc1csc(C(C)C)n1.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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is VRFUODUKAVLCSE-QSNFRUEJSA-N. The full InChI is InChI=1S/C11H19NO2.2C9H10N2.C8H8N2.C8H7NS.C7H6F3N.2C7H11NS.C6H9NS.C6H7N.2C6H8S.C5H8N2.C5H7NS.C5H10O.C2H6O/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;1-5-4-11-3-2-6(5)7(8,9)10;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-7-6;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;1-5-3-2-4-6-5;1-3-2/h7-9H,5-6H2,1-4H3;2*3-6H,1-2H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2*4-5H,1-3H3;1-3H3;2-5H,1H3;3*3-4H,1-2H3;3H,1-2H3;5H,2-4H2,1H3;1-2H3/t;;;;;;;;;;;;;;5-;/m..............0./s1.

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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 2000.91 g/mol, XLogP of 29.95, 2 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;methoxymethane;2-methyl-1,3-benzothiazole;3-methylimidazo[1,2-a]pyridine;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 161377253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).