3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C10H16N4S — CID 82509723

IUPAC3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(CN2CCNCC2)N2CCN=C2S1
InChIInChI=1S/C10H16N4S/c1-4-13(5-2-11-1)7-9-8-15-10-12-3-6-14(9)10/h8,11H,1-7H2
InChIKeyLKTQPEJUZPCAOI-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.15
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 82509723) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID82509723
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(CN2CCNCC2)N2CCN=C2S1
InChIInChI=1S/C10H16N4S/c1-4-13(5-2-11-1)7-9-8-15-10-12-3-6-14(9)10/h8,11H,1-7H2
InChIKeyLKTQPEJUZPCAOI-UHFFFAOYSA-N
XLogP0.15
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 82509723) is 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is C1=C(CN2CCNCC2)N2CCN=C2S1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LKTQPEJUZPCAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-4-13(5-2-11-1)7-9-8-15-10-12-3-6-14(9)10/h8,11H,1-7H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 224.33 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 82509723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).