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

C41H49ClF6N12O7S4 — CID 167673127

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

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167673127) has the molecular formula C41H49ClF6N12O7S4 and a molecular weight of 1099.63 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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167673127
• Molecular Formula: C41H49ClF6N12O7S4
• Molecular Weight: 1099.63 g/mol
• Exact Mass: 1098.23
• IUPAC Name: 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: C.CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2sc(C)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
• InChI: InChI=1S/C20H21F3N6O3S2.C11H13F3N4O2S.C9H10N2O2S.CH4.ClH/c1-3-16-17(28-11-13(2)33-19(28)26-16)18(30)24-10-14-4-6-15(7-5-14)29-9-8-27(12-25-29)34(31,32)20(21,22)23;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;;/h4-7,11-12H,3,8-10H2,1-2H3,(H,24,30);1-4,8H,5-7,15H2;4H,3H2,1-2H3,(H,12,13);1H4;1H
• InChIKey: NGMRUZPGYJHZSE-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.63
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The IUPAC name of 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167673127) is 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The canonical SMILES for 6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is C.CCc1nc2sc(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2sc(C)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The InChIKey is NGMRUZPGYJHZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3S2.C11H13F3N4O2S.C9H10N2O2S.CH4.ClH/c1-3-16-17(28-11-13(2)33-19(28)26-16)18(30)24-10-14-4-6-15(7-5-14)29-9-8-27(12-25-29)34(31,32)20(21,22)23;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-6-7(8(12)13)11-4-5(2)14-9(11)10-6;;/h4-7,11-12H,3,8-10H2,1-2H3,(H,24,30);1-4,8H,5-7,15H2;4H,3H2,1-2H3,(H,12,13);1H4;1H.

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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1099.63 g/mol, XLogP of 7.19, 11 rotatable bonds, 3 hydrogen bond donors, and 17 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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167673127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).