6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole

C11H15N3S — CID 115335298

IUPAC6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1(Cc2cn3ccsc3n2)CNC1
InChIInChI=1S/C11H15N3S/c1-2-11(7-12-8-11)5-9-6-14-3-4-15-10(14)13-9/h3-4,6,12H,2,5,7-8H2,1H3
InChIKeyQUHIPOTVWRZWSX-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.94
Rot. Bonds3

About 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335298) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335298
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1(Cc2cn3ccsc3n2)CNC1
InChIInChI=1S/C11H15N3S/c1-2-11(7-12-8-11)5-9-6-14-3-4-15-10(14)13-9/h3-4,6,12H,2,5,7-8H2,1H3
InChIKeyQUHIPOTVWRZWSX-UHFFFAOYSA-N
XLogP1.94
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115335298) is 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole is CCC1(Cc2cn3ccsc3n2)CNC1.
What is the InChIKey of 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is QUHIPOTVWRZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-11(7-12-8-11)5-9-6-14-3-4-15-10(14)13-9/h3-4,6,12H,2,5,7-8H2,1H3.
What are the key properties of 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 221.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).