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

C36H33Cl3F8N12O7S4 — CID 167646794

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

2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride (PubChem CID 167646794) has the molecular formula C36H33Cl3F8N12O7S4 and a molecular weight of 1132.35 g/mol. Its IUPAC name is 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride
• PubChem CID: 167646794
• Molecular Formula: C36H33Cl3F8N12O7S4
• Molecular Weight: 1132.35 g/mol
• Exact Mass: 1130.04
• IUPAC Name: 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride
• SMILES: Cc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Cc1nc2sc(Cl)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C18H15ClF4N6O3S2.C11H12F4N4O2S.C7H5ClN2O2S.ClH/c1-10-15(28-8-14(19)33-17(28)26-10)16(30)24-7-11-2-3-13(12(20)6-11)29-5-4-27(9-25-29)34(31,32)18(21,22)23;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-5(6(11)12)10-2-4(8)13-7(10)9-3;/h2-3,6,8-9H,4-5,7H2,1H3,(H,24,30);1-2,5,7H,3-4,6,16H2;2H,1H3,(H,11,12);1H
• InChIKey: YNFBMNNBGYPLJU-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.35
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride (CID 167646794) is 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride.

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

The canonical SMILES for 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride is Cc1nc2sc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Cc1nc2sc(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-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride?

The InChIKey is YNFBMNNBGYPLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N6O3S2.C11H12F4N4O2S.C7H5ClN2O2S.ClH/c1-10-15(28-8-14(19)33-17(28)26-10)16(30)24-7-11-2-3-13(12(20)6-11)29-5-4-27(9-25-29)34(31,32)18(21,22)23;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-5(6(11)12)10-2-4(8)13-7(10)9-3;/h2-3,6,8-9H,4-5,7H2,1H3,(H,24,30);1-2,5,7H,3-4,6,16H2;2H,1H3,(H,11,12);1H.

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

2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride has a molecular weight of 1132.35 g/mol, XLogP of 7.02, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;2-chloro-6-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;hydrochloride is sourced from PubChem (CID 167646794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).