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

C16H19N3OS — CID 43476743

IUPAC[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCC(C)c1ccccc1Oc1nc2sccn2c1CN
InChIInChI=1S/C16H19N3OS/c1-3-11(2)12-6-4-5-7-14(12)20-15-13(10-17)19-8-9-21-16(19)18-15/h4-9,11H,3,10,17H2,1-2H3
InChIKeySDUBZVRLMWUOAF-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.16
Rot. Bonds5

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

[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 43476743) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID43476743
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCC(C)c1ccccc1Oc1nc2sccn2c1CN
InChIInChI=1S/C16H19N3OS/c1-3-11(2)12-6-4-5-7-14(12)20-15-13(10-17)19-8-9-21-16(19)18-15/h4-9,11H,3,10,17H2,1-2H3
InChIKeySDUBZVRLMWUOAF-UHFFFAOYSA-N
XLogP4.16
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.16
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
2-[6-(2-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63815749
[6-(3-chloro-2-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 116689579
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82503893
2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802614
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65429632

Frequently Asked Questions

What is the IUPAC name of [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 43476743) is [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CCC(C)c1ccccc1Oc1nc2sccn2c1CN.
What is the InChIKey of [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is SDUBZVRLMWUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-11(2)12-6-4-5-7-14(12)20-15-13(10-17)19-8-9-21-16(19)18-15/h4-9,11H,3,10,17H2,1-2H3.
What are the key properties of [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 43476743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).