1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C10H13N3O2S — CID 116591105

IUPAC1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESNCCOCC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3O2S/c11-1-3-15-7-9(14)5-8-6-13-2-4-16-10(13)12-8/h2,4,6H,1,3,5,7,11H2
InChIKeyMINTYOFCRCADQQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.48
Rot. Bonds6

About 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 116591105) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID116591105
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESNCCOCC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3O2S/c11-1-3-15-7-9(14)5-8-6-13-2-4-16-10(13)12-8/h2,4,6H,1,3,5,7,11H2
InChIKeyMINTYOFCRCADQQ-UHFFFAOYSA-N
XLogP0.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146878
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-piperidin-4-yloxypropan-2-one
CID 116571205
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588755
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
[2-(2-fluorophenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23879269
3-amino-4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116593154

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 116591105) is 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is NCCOCC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is MINTYOFCRCADQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-1-3-15-7-9(14)5-8-6-13-2-4-16-10(13)12-8/h2,4,6H,1,3,5,7,11H2.
What are the key properties of 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 116591105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).