2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride

C38H37Cl3F8N12O7S4 — CID 167553295

About 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride

2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride (PubChem CID 167553295) has the molecular formula C38H37Cl3F8N12O7S4 and a molecular weight of 1160.40 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride
• PubChem CID: 167553295
• Molecular Formula: C38H37Cl3F8N12O7S4
• Molecular Weight: 1160.40 g/mol
• Exact Mass: 1158.07
• IUPAC Name: 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride
• SMILES: CCc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2sc(Cl)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C19H17ClF4N6O3S2.C11H12F4N4O2S.C8H7ClN2O2S.ClH/c1-2-13-16(29-9-15(20)34-18(29)27-13)17(31)25-8-11-3-4-14(12(21)7-11)30-6-5-28(10-26-30)35(32,33)19(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;1-2-4-6(7(12)13)11-3-5(9)14-8(11)10-4;/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,25,31);1-2,5,7H,3-4,6,16H2;3H,2H2,1H3,(H,12,13);1H
• InChIKey: QLJIYMPPVOTDOO-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1160.40
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride (CID 167553295) is 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride.

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

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

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

The InChIKey is QLJIYMPPVOTDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N6O3S2.C11H12F4N4O2S.C8H7ClN2O2S.ClH/c1-2-13-16(29-9-15(20)34-18(29)27-13)17(31)25-8-11-3-4-14(12(21)7-11)30-6-5-28(10-26-30)35(32,33)19(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;1-2-4-6(7(12)13)11-3-5(9)14-8(11)10-4;/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,25,31);1-2,5,7H,3-4,6,16H2;3H,2H2,1H3,(H,12,13);1H.

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

2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride has a molecular weight of 1160.40 g/mol, XLogP of 7.53, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-ethylimidazo[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;hydrochloride is sourced from PubChem (CID 167553295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).