N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid

C15H15F6N5O2S — CID 166302800

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14F3N5S.C2HF3O2/c1-9(10-4-18-21(6-10)8-13(14,15)16)17-5-11-7-20-2-3-22-12(20)19-11;3-2(4,5)1(6)7/h2-4,6-7,9,17H,5,8H2,1H3;(H,6,7)
InChIKeyINBVVWLFKONOEL-UHFFFAOYSA-N
MW443.37 g/mol
LogP3.64
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 166302800) has the molecular formula C15H15F6N5O2S and a molecular weight of 443.37 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID166302800
Molecular FormulaC15H15F6N5O2S
Molecular Weight443.37 g/mol
Exact Mass443.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14F3N5S.C2HF3O2/c1-9(10-4-18-21(6-10)8-13(14,15)16)17-5-11-7-20-2-3-22-12(20)19-11;3-2(4,5)1(6)7/h2-4,6-7,9,17H,5,8H2,1H3;(H,6,7)
InChIKeyINBVVWLFKONOEL-UHFFFAOYSA-N
XLogP3.64
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70728734
2-[3-(Imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118745742
N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 136558667
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56312970
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61631749
2-[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 64176981
1-[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 64177987
N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 64178103
[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 64178280
N-methyl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 64179116
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78901795
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154924334

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid (CID 166302800) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid is CC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is INBVVWLFKONOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5S.C2HF3O2/c1-9(10-4-18-21(6-10)8-13(14,15)16)17-5-11-7-20-2-3-22-12(20)19-11;3-2(4,5)1(6)7/h2-4,6-7,9,17H,5,8H2,1H3;(H,6,7).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 443.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166302800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).