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

C38H39ClF8N12O7S4 — CID 167595719

IUPAC2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
SMILESCc1cn2c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)O)c(C)nc2s1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C19H18F4N6O3S2.C11H12F4N4O2S.C8H8N2O2S.ClH/c1-11-9-28-16(12(2)26-18(28)33-11)17(30)24-8-13-3-4-15(14(20)7-13)29-6-5-27(10-25-29)34(31,32)19(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;1-4-3-10-6(7(11)12)5(2)9-8(10)13-4;/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,30);1-2,5,7H,3-4,6,16H2;3H,1-2H3,(H,11,12);1H
InChIKeySCRNOPZCEXFZQW-UHFFFAOYSA-N
MW1091.51 g/mol
LogP6.33
Rot. Bonds9

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

2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (PubChem CID 167595719) has the molecular formula C38H39ClF8N12O7S4 and a molecular weight of 1091.51 g/mol. Its IUPAC name is 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
PubChem CID167595719
Molecular FormulaC38H39ClF8N12O7S4
Molecular Weight1091.51 g/mol
Exact Mass1090.15
IUPAC Name2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride
SMILESCc1cn2c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)O)c(C)nc2s1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C19H18F4N6O3S2.C11H12F4N4O2S.C8H8N2O2S.ClH/c1-11-9-28-16(12(2)26-18(28)33-11)17(30)24-8-13-3-4-15(14(20)7-13)29-6-5-27(10-25-29)34(31,32)19(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;1-4-3-10-6(7(11)12)5(2)9-8(10)13-4;/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,30);1-2,5,7H,3-4,6,16H2;3H,1-2H3,(H,11,12);1H
InChIKeySCRNOPZCEXFZQW-UHFFFAOYSA-N
XLogP6.33
TPSA232.98 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.51
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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

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Related Compounds

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine
CID 158441415
Chloromethane;2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methanamine
CID 159789186
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
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
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
[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
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
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;hydrochloride
CID 167676279
6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-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;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 158363566
5-[2-(dimethylamino)-2-oxoacetyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;4-[(4-fluorophenyl)methyl]piperidine;2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide
CID 161782292
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;methane;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrofluoride
CID 167700329

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride (CID 167595719) is 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride is Cc1cn2c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)c(C)nc2s1.Cc1cn2c(C(=O)O)c(C)nc2s1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?
The InChIKey is SCRNOPZCEXFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O3S2.C11H12F4N4O2S.C8H8N2O2S.ClH/c1-11-9-28-16(12(2)26-18(28)33-11)17(30)24-8-13-3-4-15(14(20)7-13)29-6-5-27(10-25-29)34(31,32)19(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;1-4-3-10-6(7(11)12)5(2)9-8(10)13-4;/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,24,30);1-2,5,7H,3-4,6,16H2;3H,1-2H3,(H,11,12);1H.
What are the key properties of 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride?
2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride has a molecular weight of 1091.51 g/mol, XLogP of 6.33, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylimidazo[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;N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 167595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).