3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

C12H15N3OS — CID 116680767

IUPAC3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C1CNC1
InChIInChI=1S/C12H15N3OS/c1-8(9-5-13-6-9)11(16)4-10-7-15-2-3-17-12(15)14-10/h2-3,7-9,13H,4-6H2,1H3
InChIKeyWREZCFJODXPWBH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.36
Rot. Bonds4

About 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one

3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (PubChem CID 116680767) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
PubChem CID116680767
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C1CNC1
InChIInChI=1S/C12H15N3OS/c1-8(9-5-13-6-9)11(16)4-10-7-15-2-3-17-12(15)14-10/h2-3,7-9,13H,4-6H2,1H3
InChIKeyWREZCFJODXPWBH-UHFFFAOYSA-N
XLogP1.36
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-morpholin-2-ylethanone
CID 116561830
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
N-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332601

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The IUPAC name of 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one (CID 116680767) is 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one.
What is the SMILES notation for 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The canonical SMILES for 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is CC(C(=O)Cc1cn2ccsc2n1)C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
The InChIKey is WREZCFJODXPWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(9-5-13-6-9)11(16)4-10-7-15-2-3-17-12(15)14-10/h2-3,7-9,13H,4-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one?
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one is sourced from PubChem (CID 116680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).