2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone

C12H14N2O2S — CID 115791904

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2cn3ccsc3n2)CO1
InChIInChI=1S/C12H14N2O2S/c1-8-4-9(7-16-8)11(15)5-10-6-14-2-3-17-12(14)13-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyWOYJKYMRUCYRBL-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.93
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 115791904) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
PubChem CID115791904
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2cn3ccsc3n2)CO1
InChIInChI=1S/C12H14N2O2S/c1-8-4-9(7-16-8)11(15)5-10-6-14-2-3-17-12(14)13-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyWOYJKYMRUCYRBL-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
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-morpholin-2-ylethanone
CID 116561830
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 115333201
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
CID 114825947
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749154
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone (CID 115791904) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone is CC1CC(C(=O)Cc2cn3ccsc3n2)CO1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is WOYJKYMRUCYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-4-9(7-16-8)11(15)5-10-6-14-2-3-17-12(14)13-10/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone has a molecular weight of 250.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 115791904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).