N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline

C16H19N3S — CID 43765094

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2c(C)nc3scc(C)n23)c1
InChIInChI=1S/C16H19N3S/c1-4-13-6-5-7-14(8-13)17-9-15-12(3)18-16-19(15)11(2)10-20-16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyPUOBXIGIMNSFKO-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.19
Rot. Bonds4

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline (PubChem CID 43765094) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline
PubChem CID43765094
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2c(C)nc3scc(C)n23)c1
InChIInChI=1S/C16H19N3S/c1-4-13-6-5-7-14(8-13)17-9-15-12(3)18-16-19(15)11(2)10-20-16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyPUOBXIGIMNSFKO-UHFFFAOYSA-N
XLogP4.19
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-iodoaniline
CID 43773323
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
CID 43761570
2,3-dichloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43772146
2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43762589
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
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
4-[(3-ethylanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103236150
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline (CID 43765094) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline is CCc1cccc(NCc2c(C)nc3scc(C)n23)c1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline?
The InChIKey is PUOBXIGIMNSFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-13-6-5-7-14(8-13)17-9-15-12(3)18-16-19(15)11(2)10-20-16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline has a molecular weight of 285.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline is sourced from PubChem (CID 43765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).