6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride

C41H47ClF8N12O7S4 — CID 167589600

About 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride

6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride (PubChem CID 167589600) has the molecular formula C41H47ClF8N12O7S4 and a molecular weight of 1135.61 g/mol. Its IUPAC name is 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride.

Molecular Properties

• Compound Name: 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride
• PubChem CID: 167589600
• Molecular Formula: C41H47ClF8N12O7S4
• Molecular Weight: 1135.61 g/mol
• Exact Mass: 1134.21
• IUPAC Name: 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride
• SMILES: C.CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2sc(C)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C20H20F4N6O3S2.C11H12F4N4O2S.C9H10N2O2S.CH4.ClH/c1-3-15-17(29-10-12(2)34-19(29)27-15)18(31)25-9-13-4-5-16(14(21)8-13)30-7-6-28(11-26-30)35(32,33)20(22,23)24;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;;/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,25,31);1-2,5,7H,3-4,6,16H2;4H,3H2,1-2H3,(H,12,13);1H4;1H
• InChIKey: MEJWVHYGPVOFHJ-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.61
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The IUPAC name of 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride (CID 167589600) is 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride.

What is the SMILES notation for 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The canonical SMILES for 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride is C.CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2sc(C)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.

What is the InChIKey of 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The InChIKey is MEJWVHYGPVOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O3S2.C11H12F4N4O2S.C9H10N2O2S.CH4.ClH/c1-3-15-17(29-10-12(2)34-19(29)27-15)18(31)25-9-13-4-5-16(14(21)8-13)30-7-6-28(11-26-30)35(32,33)20(22,23)24;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;;/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,25,31);1-2,5,7H,3-4,6,16H2;4H,3H2,1-2H3,(H,12,13);1H4;1H.

What are the key properties of 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride has a molecular weight of 1135.61 g/mol, XLogP of 7.47, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride is sourced from PubChem (CID 167589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).