3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile

C12H16N4O2S — CID 63285602

IUPAC3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc2sccn2c1CO
InChIInChI=1S/C12H16N4O2S/c1-18-7-5-15(4-2-3-13)11-10(9-17)16-6-8-19-12(16)14-11/h6,8,17H,2,4-5,7,9H2,1H3
InChIKeyCNMZIQLNJSARBM-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.25
Rot. Bonds7

About 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile

3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63285602) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
PubChem CID63285602
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc2sccn2c1CO
InChIInChI=1S/C12H16N4O2S/c1-18-7-5-15(4-2-3-13)11-10(9-17)16-6-8-19-12(16)14-11/h6,8,17H,2,4-5,7,9H2,1H3
InChIKeyCNMZIQLNJSARBM-UHFFFAOYSA-N
XLogP1.25
TPSA73.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
3-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methylpropyl)amino]propanenitrile
CID 107082308
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
2-[(2-amino-2-oxoethyl)-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 62923863
[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
[2-[bis(2-methoxyethyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 61418588
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141
6-[2-methoxyethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61427156
[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile (CID 63285602) is 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1nc2sccn2c1CO.
What is the InChIKey of 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is CNMZIQLNJSARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-18-7-5-15(4-2-3-13)11-10(9-17)16-6-8-19-12(16)14-11/h6,8,17H,2,4-5,7,9H2,1H3.
What are the key properties of 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile?
3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 280.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63285602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).