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

C12H9ClFN3OS — CID 116689579

IUPAC[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Oc2cccc(Cl)c2F)nc2sccn12
InChIInChI=1S/C12H9ClFN3OS/c13-7-2-1-3-9(10(7)14)18-11-8(6-15)17-4-5-19-12(17)16-11/h1-5H,6,15H2
InChIKeyWRXXLNAQZKIVOE-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.44
Rot. Bonds3

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

[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 116689579) has the molecular formula C12H9ClFN3OS and a molecular weight of 297.74 g/mol. Its IUPAC name is [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID116689579
Molecular FormulaC12H9ClFN3OS
Molecular Weight297.74 g/mol
Exact Mass297.01
IUPAC Name[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(Oc2cccc(Cl)c2F)nc2sccn12
InChIInChI=1S/C12H9ClFN3OS/c13-7-2-1-3-9(10(7)14)18-11-8(6-15)17-4-5-19-12(17)16-11/h1-5H,6,15H2
InChIKeyWRXXLNAQZKIVOE-UHFFFAOYSA-N
XLogP3.44
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2,6-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476612
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476743
[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62785052
2-[6-(2-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63815749
5-(chloromethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476068
5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476148
2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802614
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 116689579) is [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(Oc2cccc(Cl)c2F)nc2sccn12.
What is the InChIKey of [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is WRXXLNAQZKIVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3OS/c13-7-2-1-3-9(10(7)14)18-11-8(6-15)17-4-5-19-12(17)16-11/h1-5H,6,15H2.
What are the key properties of [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 297.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 116689579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).