[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C12H9F2N3OS — CID 62785052

IUPAC[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Oc2cc(F)cc(F)c2)nc2sccn12
InChIInChI=1S/C12H9F2N3OS/c13-7-3-8(14)5-9(4-7)18-11-10(6-15)17-1-2-19-12(17)16-11/h1-5H,6,15H2
InChIKeyMGRUKQFVDILTAD-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.92
Rot. Bonds3

About [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 62785052) has the molecular formula C12H9F2N3OS and a molecular weight of 281.29 g/mol. Its IUPAC name is [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID62785052
Molecular FormulaC12H9F2N3OS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Oc2cc(F)cc(F)c2)nc2sccn12
InChIInChI=1S/C12H9F2N3OS/c13-7-3-8(14)5-9(4-7)18-11-10(6-15)17-1-2-19-12(17)16-11/h1-5H,6,15H2
InChIKeyMGRUKQFVDILTAD-UHFFFAOYSA-N
XLogP2.92
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63803338
2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 81325942
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476148
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
[6-(2,6-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476612
N-[[6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43476727
2-[6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802425
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476743

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 62785052) is [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(Oc2cc(F)cc(F)c2)nc2sccn12.
What is the InChIKey of [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is MGRUKQFVDILTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3OS/c13-7-3-8(14)5-9(4-7)18-11-10(6-15)17-1-2-19-12(17)16-11/h1-5H,6,15H2.
What are the key properties of [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 281.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 62785052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).