2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid

C14H21N3O2S — CID 82364433

IUPAC2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1c(C)nc2scc(C)n12)C(=O)O
InChIInChI=1S/C14H21N3O2S/c1-4-5-6-11(13(18)19)15-7-12-10(3)16-14-17(12)9(2)8-20-14/h8,11,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyZJBMXODVHHIMLH-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.75
Rot. Bonds7

About 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid

2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid (PubChem CID 82364433) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid
PubChem CID82364433
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1c(C)nc2scc(C)n12)C(=O)O
InChIInChI=1S/C14H21N3O2S/c1-4-5-6-11(13(18)19)15-7-12-10(3)16-14-17(12)9(2)8-20-14/h8,11,15H,4-7H2,1-3H3,(H,18,19)
InChIKeyZJBMXODVHHIMLH-UHFFFAOYSA-N
XLogP2.75
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
CID 43791067
ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
CID 61498662
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281929
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid
CID 84751624
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol
CID 43790156
(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369959
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid?
The IUPAC name of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid (CID 82364433) is 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid is CCCCC(NCc1c(C)nc2scc(C)n12)C(=O)O.
What is the InChIKey of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid?
The InChIKey is ZJBMXODVHHIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-5-6-11(13(18)19)15-7-12-10(3)16-14-17(12)9(2)8-20-14/h8,11,15H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid?
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid has a molecular weight of 295.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexanoic acid is sourced from PubChem (CID 82364433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).