[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C16H12FN3S2 — CID 39196558

IUPAC[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(-c2cccs2)nc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C16H12FN3S2/c17-11-5-3-10(4-6-11)13-9-22-16-19-15(12(8-18)20(13)16)14-2-1-7-21-14/h1-7,9H,8,18H2
InChIKeyVNZYWHJHKIXEPI-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.39
Rot. Bonds3

About [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39196558) has the molecular formula C16H12FN3S2 and a molecular weight of 329.43 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39196558
Molecular FormulaC16H12FN3S2
Molecular Weight329.43 g/mol
Exact Mass329.05
IUPAC Name[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(-c2cccs2)nc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C16H12FN3S2/c17-11-5-3-10(4-6-11)13-9-22-16-19-15(12(8-18)20(13)16)14-2-1-7-21-14/h1-7,9H,8,18H2
InChIKeyVNZYWHJHKIXEPI-UHFFFAOYSA-N
XLogP4.39
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
2-(3-pyridin-3-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062562
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 93206666
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
2-(6-tert-butyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062518
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
3-(furan-2-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068730

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39196558) is [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(-c2cccs2)nc2scc(-c3ccc(F)cc3)n12.
What is the InChIKey of [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is VNZYWHJHKIXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S2/c17-11-5-3-10(4-6-11)13-9-22-16-19-15(12(8-18)20(13)16)14-2-1-7-21-14/h1-7,9H,8,18H2.
What are the key properties of [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 329.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).