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

C16H18FN3S — CID 82062511

IUPAC2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCC(C)c1nc2scc(-c3ccc(F)cc3)n2c1CCN
InChIInChI=1S/C16H18FN3S/c1-10(2)15-13(7-8-18)20-14(9-21-16(20)19-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyNZESOXQCZLMHCL-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.83
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 82062511) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID82062511
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCC(C)c1nc2scc(-c3ccc(F)cc3)n2c1CCN
InChIInChI=1S/C16H18FN3S/c1-10(2)15-13(7-8-18)20-14(9-21-16(20)19-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyNZESOXQCZLMHCL-UHFFFAOYSA-N
XLogP3.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210774
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558
2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210624
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062419
2-[3-(3,4-dimethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062331
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
2-(6-pyridin-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 93210844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 82062511) is 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CC(C)c1nc2scc(-c3ccc(F)cc3)n2c1CCN.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is NZESOXQCZLMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-10(2)15-13(7-8-18)20-14(9-21-16(20)19-15)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 82062511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).