6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine

C70H71F13N12O3S2 — CID 158441415

About 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine (PubChem CID 158441415) has the molecular formula C70H71F13N12O3S2 and a molecular weight of 1439.53 g/mol. Its IUPAC name is 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine
• PubChem CID: 158441415
• Molecular Formula: C70H71F13N12O3S2
• Molecular Weight: 1439.53 g/mol
• Exact Mass: 1438.50
• IUPAC Name: 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine
• SMILES: CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.CCc1nc2sc(C)cn2c1C(=O)O.FC(F)(F)C1C2CNCC21.NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3C(C2)C3C(F)(F)F)cc1
• InChI: InChI=1S/C22H23F3N4OS.C13H11F3N2.C13H15F3N2.C9H10N2O2S.C7H4FN.C6H8F3N/c1-3-17-19(29-9-12(2)31-21(29)27-17)20(30)26-8-13-4-6-14(7-5-13)28-10-15-16(11-28)18(15)22(23,24)25;1-17-8-2-4-9(5-3-8)18-6-10-11(7-18)12(10)13(14,15)16;14-13(15,16)12-10-6-18(7-11(10)12)9-3-1-8(5-17)2-4-9;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;1-9-7-4-2-6(8)3-5-7;7-6(8,9)5-3-1-10-2-4(3)5/h4-7,9,15-16,18H,3,8,10-11H2,1-2H3,(H,26,30);2-5,10-12H,6-7H2;1-4,10-12H,5-7,17H2;4H,3H2,1-2H3,(H,12,13);2-5H;3-5,10H,1-2H2
• InChIKey: HCWAOPVZBNXCSU-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 157.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.53
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine?

The IUPAC name of 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine (CID 158441415) is 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine.

What is the SMILES notation for 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine?

The canonical SMILES for 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine is CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.CCc1nc2sc(C)cn2c1C(=O)O.FC(F)(F)C1C2CNCC21.NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.

What is the InChIKey of 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine?

The InChIKey is HCWAOPVZBNXCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4OS.C13H11F3N2.C13H15F3N2.C9H10N2O2S.C7H4FN.C6H8F3N/c1-3-17-19(29-9-12(2)31-21(29)27-17)20(30)26-8-13-4-6-14(7-5-13)28-10-15-16(11-28)18(15)22(23,24)25;1-17-8-2-4-9(5-3-8)18-6-10-11(7-18)12(10)13(14,15)16;14-13(15,16)12-10-6-18(7-11(10)12)9-3-1-8(5-17)2-4-9;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;1-9-7-4-2-6(8)3-5-7;7-6(8,9)5-3-1-10-2-4(3)5/h4-7,9,15-16,18H,3,8,10-11H2,1-2H3,(H,26,30);2-5,10-12H,6-7H2;1-4,10-12H,5-7,17H2;4H,3H2,1-2H3,(H,12,13);2-5H;3-5,10H,1-2H2.

What are the key properties of 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine?

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine has a molecular weight of 1439.53 g/mol, XLogP of 15.67, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine is sourced from PubChem (CID 158441415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).