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

C13H14F3N5S — CID 166302801

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H14F3N5S/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/h2-4,6-7,9,17H,5,8H2,1H3
InChIKeyDPLQOYNQNRZUAT-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.01
Rot. Bonds5

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (PubChem CID 166302801) has the molecular formula C13H14F3N5S and a molecular weight of 329.35 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.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
PubChem CID166302801
Molecular FormulaC13H14F3N5S
Molecular Weight329.35 g/mol
Exact Mass329.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
SMILESCC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C13H14F3N5S/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/h2-4,6-7,9,17H,5,8H2,1H3
InChIKeyDPLQOYNQNRZUAT-UHFFFAOYSA-N
XLogP3.01
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 56780532
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70728734
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865754
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-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631550
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61631749
[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631794
2-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816259
1-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817492
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

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?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine (CID 166302801) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine.
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?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine is CC(NCc1cn2ccsc2n1)c1cnn(CC(F)(F)F)c1.
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?
The InChIKey is DPLQOYNQNRZUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5S/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/h2-4,6-7,9,17H,5,8H2,1H3.
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?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine has a molecular weight of 329.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 166302801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).