tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane

C180H287F4N19O9S8 — CID 159214799

About tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane

tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane (PubChem CID 159214799) has the molecular formula C180H287F4N19O9S8 and a molecular weight of 3193.93 g/mol. Its IUPAC name is tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane.

Molecular Properties

• Compound Name: tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane
• PubChem CID: 159214799
• Molecular Formula: C180H287F4N19O9S8
• Molecular Weight: 3193.93 g/mol
• Exact Mass: 3191.03
• IUPAC Name: tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane
• SMILES: C=S(C)(=O)CCCC.CC1C2CN(C(=O)OC(C)(C)C)CC12.CC1CN(C)C1.CCC1CN(C(=O)OC(C)(C)C)C1.CCCC1CCCC1.CCCC1CCCO1.CCCC1CCN(C(=O)OC(C)(C)C)CC1.CCCCC.CCCCOC.CCc1ccc(C)s1.CCc1ccc(F)cc1.CCc1ccccn1.CCc1ccnn1C.CCc1cnc(C(C)C)s1.CCc1cnc(C)s1.CCc1cnc2ccc(C)cn12.CCc1cnc2cccc(C)n12.CCc1cnc2ccccn12.CCc1cnccc1C(F)(F)F.CCc1csc(C(C)C)n1.CCc1nc2ccccc2s1.CCc1sc(C)nc1C.CCc1sccc1C
• InChI: InChI=1S/C13H25NO2.C11H19NO2.2C10H12N2.C10H19NO2.C9H10N2.C9H9NS.C8H8F3N.C8H9F.2C8H13NS.C8H16.C7H11NS.C7H9N.C7H14O.2C7H10S.C6H10N2.C6H9NS.C6H14OS.C5H11N.C5H12O.C5H12/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4;1-7-8-5-12(6-9(7)8)10(13)14-11(2,3)4;1-3-9-6-11-10-5-4-8(2)7-12(9)10;1-3-9-7-11-10-6-4-5-8(2)12(9)10;1-5-8-6-11(7-8)9(12)13-10(2,3)4;1-2-8-7-10-9-5-3-4-6-11(8)9;1-2-9-10-7-5-3-4-6-8(7)11-9;1-2-6-5-12-4-3-7(6)8(9,10)11;1-2-7-3-5-8(9)6-4-7;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-2-5-8-6-3-4-7-8;1-4-7-5(2)8-6(3)9-7;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-3-7-6(2)4-5-8-7;1-3-7-5-4-6(2)8-7;1-3-6-4-5-7-8(6)2;1-3-6-4-7-5(2)8-6;1-4-5-6-8(2,3)7;1-5-3-6(2)4-5;1-3-4-5-6-2;1-3-5-4-2/h11H,5-10H2,1-4H3;7-9H,5-6H2,1-4H3;2*4-7H,3H2,1-2H3;8H,5-7H2,1-4H3;3-7H,2H2,1H3;3-6H,2H2,1H3;3-5H,2H2,1H3;3-6H,2H2,1H3;2*5-6H,4H2,1-3H3;8H,2-7H2,1H3;4H2,1-3H3;3-6H,2H2,1H3;7H,2-6H2,1H3;3*4-5H,3H2,1-2H3;4H,3H2,1-2H3;2,4-6H2,1,3H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3
• InChIKey: KQXWVJRGMDWEBN-UHFFFAOYSA-N
• XLogP: 50.16
• TPSA: 287.34 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3193.93
LogP ≤ 5	50.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane?

The IUPAC name of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane (CID 159214799) is tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane.

What is the SMILES notation for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane?

The canonical SMILES for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane is C=S(C)(=O)CCCC.CC1C2CN(C(=O)OC(C)(C)C)CC12.CC1CN(C)C1.CCC1CN(C(=O)OC(C)(C)C)C1.CCCC1CCCC1.CCCC1CCCO1.CCCC1CCN(C(=O)OC(C)(C)C)CC1.CCCCC.CCCCOC.CCc1ccc(C)s1.CCc1ccc(F)cc1.CCc1ccccn1.CCc1ccnn1C.CCc1cnc(C(C)C)s1.CCc1cnc(C)s1.CCc1cnc2ccc(C)cn12.CCc1cnc2cccc(C)n12.CCc1cnc2ccccn12.CCc1cnccc1C(F)(F)F.CCc1csc(C(C)C)n1.CCc1nc2ccccc2s1.CCc1sc(C)nc1C.CCc1sccc1C.

What is the InChIKey of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane?

The InChIKey is KQXWVJRGMDWEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C11H19NO2.2C10H12N2.C10H19NO2.C9H10N2.C9H9NS.C8H8F3N.C8H9F.2C8H13NS.C8H16.C7H11NS.C7H9N.C7H14O.2C7H10S.C6H10N2.C6H9NS.C6H14OS.C5H11N.C5H12O.C5H12/c1-5-6-11-7-9-14(10-8-11)12(15)16-13(2,3)4;1-7-8-5-12(6-9(7)8)10(13)14-11(2,3)4;1-3-9-6-11-10-5-4-8(2)7-12(9)10;1-3-9-7-11-10-6-4-5-8(2)12(9)10;1-5-8-6-11(7-8)9(12)13-10(2,3)4;1-2-8-7-10-9-5-3-4-6-11(8)9;1-2-9-10-7-5-3-4-6-8(7)11-9;1-2-6-5-12-4-3-7(6)8(9,10)11;1-2-7-3-5-8(9)6-4-7;1-4-7-5-10-8(9-7)6(2)3;1-4-7-5-9-8(10-7)6(2)3;1-2-5-8-6-3-4-7-8;1-4-7-5(2)8-6(3)9-7;1-2-7-5-3-4-6-8-7;1-2-4-7-5-3-6-8-7;1-3-7-6(2)4-5-8-7;1-3-7-5-4-6(2)8-7;1-3-6-4-5-7-8(6)2;1-3-6-4-7-5(2)8-6;1-4-5-6-8(2,3)7;1-5-3-6(2)4-5;1-3-4-5-6-2;1-3-5-4-2/h11H,5-10H2,1-4H3;7-9H,5-6H2,1-4H3;2*4-7H,3H2,1-2H3;8H,5-7H2,1-4H3;3-7H,2H2,1H3;3-6H,2H2,1H3;3-5H,2H2,1H3;3-6H,2H2,1H3;2*5-6H,4H2,1-3H3;8H,2-7H2,1H3;4H2,1-3H3;3-6H,2H2,1H3;7H,2-6H2,1H3;3*4-5H,3H2,1-2H3;4H,3H2,1-2H3;2,4-6H2,1,3H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3.

What are the key properties of tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane?

tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane has a molecular weight of 3193.93 g/mol, XLogP of 50.16, 31 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-ethylazetidine-1-carboxylate;tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;butyl-methyl-methylidene-oxo-λ6-sulfane;tert-butyl 4-propylpiperidine-1-carboxylate;1,3-dimethylazetidine;2-ethyl-1,3-benzothiazole;5-ethyl-2,4-dimethyl-1,3-thiazole;1-ethyl-4-fluorobenzene;3-ethylimidazo[1,2-a]pyridine;3-ethyl-5-methylimidazo[1,2-a]pyridine;3-ethyl-6-methylimidazo[1,2-a]pyridine;5-ethyl-1-methylpyrazole;5-ethyl-2-methyl-1,3-thiazole;2-ethyl-3-methylthiophene;2-ethyl-5-methylthiophene;4-ethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethylpyridine;3-ethyl-4-(trifluoromethyl)pyridine;1-methoxybutane;pentane;propylcyclopentane;2-propyloxolane is sourced from PubChem (CID 159214799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).