2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline

C16H20N4S — CID 115332111

IUPAC2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1cn2ccsc2n1)Cc1ccccc1N
InChIInChI=1S/C16H20N4S/c1-2-7-19(10-13-5-3-4-6-15(13)17)11-14-12-20-8-9-21-16(20)18-14/h3-6,8-9,12H,2,7,10-11,17H2,1H3
InChIKeyALFKUGCERWUIAA-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.39
Rot. Bonds6

About 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline

2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline (PubChem CID 115332111) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline
PubChem CID115332111
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1cn2ccsc2n1)Cc1ccccc1N
InChIInChI=1S/C16H20N4S/c1-2-7-19(10-13-5-3-4-6-15(13)17)11-14-12-20-8-9-21-16(20)18-14/h3-6,8-9,12H,2,7,10-11,17H2,1H3
InChIKeyALFKUGCERWUIAA-UHFFFAOYSA-N
XLogP3.39
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
CID 115331844
2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
CID 115331832
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile
CID 115331821
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 16673658
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
1-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-2-amine
CID 114833688
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961

Frequently Asked Questions

What is the IUPAC name of 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline (CID 115332111) is 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline is CCCN(Cc1cn2ccsc2n1)Cc1ccccc1N.
What is the InChIKey of 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline?
The InChIKey is ALFKUGCERWUIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-7-19(10-13-5-3-4-6-15(13)17)11-14-12-20-8-9-21-16(20)18-14/h3-6,8-9,12H,2,7,10-11,17H2,1H3.
What are the key properties of 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline?
2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline has a molecular weight of 300.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 115332111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).