5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C16H14FN5S — CID 22335063

IUPAC5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2sccn12
InChIInChI=1S/C16H14FN5S/c1-2-13-12(20-16-22(13)8-9-23-16)10-21-7-6-18-15(21)11-4-3-5-14(17)19-11/h3-9H,2,10H2,1H3
InChIKeyNIXILFJVLKDGLU-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.40
Rot. Bonds4

About 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 22335063) has the molecular formula C16H14FN5S and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID22335063
Molecular FormulaC16H14FN5S
Molecular Weight327.39 g/mol
Exact Mass327.10
IUPAC Name5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCc1c(Cn2ccnc2-c2cccc(F)n2)nc2sccn12
InChIInChI=1S/C16H14FN5S/c1-2-13-12(20-16-22(13)8-9-23-16)10-21-7-6-18-15(21)11-4-3-5-14(17)19-11/h3-9H,2,10H2,1H3
InChIKeyNIXILFJVLKDGLU-UHFFFAOYSA-N
XLogP3.40
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-propylimidazo[1,2-b]pyridazine
CID 22335093
7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-methyl-8-propylimidazo[1,2-c]pyrimidine
CID 11245036
6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-methyl-5-propylimidazo[1,5-a]pyrazine
CID 58748663
5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
CID 58748668
6-chloro-N,N-diethyl-3-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]pyridazin-4-amine
CID 10451188
ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
CID 57456766
2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
CID 21026126
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
2-methyl-6-[1-(pyridin-2-ylmethyl)imidazol-2-yl]pyridine
CID 156586380
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 22335063) is 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is CCc1c(Cn2ccnc2-c2cccc(F)n2)nc2sccn12.
What is the InChIKey of 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NIXILFJVLKDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5S/c1-2-13-12(20-16-22(13)8-9-23-16)10-21-7-6-18-15(21)11-4-3-5-14(17)19-11/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 327.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22335063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).