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

C38H33ClF14N12O7S4 — CID 167664947

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

[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride (PubChem CID 167664947) has the molecular formula C38H33ClF14N12O7S4 and a molecular weight of 1199.45 g/mol. Its IUPAC name is [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride
• PubChem CID: 167664947
• Molecular Formula: C38H33ClF14N12O7S4
• Molecular Weight: 1199.45 g/mol
• Exact Mass: 1198.09
• IUPAC Name: [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride
• SMILES: Cc1cn2c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)c(C(F)(F)F)nc2s1.Cc1cn2c(C(=O)O)c(C(F)(F)F)nc2s1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C19H15F7N6O3S2.C11H12F4N4O2S.C8H5F3N2O2S.ClH/c1-10-8-31-14(15(18(21,22)23)29-17(31)36-10)16(33)27-7-11-2-3-13(12(20)6-11)32-5-4-30(9-28-32)37(34,35)19(24,25)26;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-2-13-4(6(14)15)5(8(9,10)11)12-7(13)16-3;/h2-3,6,8-9H,4-5,7H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;2H,1H3,(H,14,15);1H
• InChIKey: QLZXAZHCESVTPR-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.45
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride (CID 167664947) is [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride.

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

The canonical SMILES for [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride is Cc1cn2c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)c(C(F)(F)F)nc2s1.Cc1cn2c(C(=O)O)c(C(F)(F)F)nc2s1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.

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

The InChIKey is QLZXAZHCESVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N6O3S2.C11H12F4N4O2S.C8H5F3N2O2S.ClH/c1-10-8-31-14(15(18(21,22)23)29-17(31)36-10)16(33)27-7-11-2-3-13(12(20)6-11)32-5-4-30(9-28-32)37(34,35)19(24,25)26;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-3-2-13-4(6(14)15)5(8(9,10)11)12-7(13)16-3;/h2-3,6,8-9H,4-5,7H2,1H3,(H,27,33);1-2,5,7H,3-4,6,16H2;2H,1H3,(H,14,15);1H.

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

[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 1199.45 g/mol, XLogP of 7.75, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 167664947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).