2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone

C11H13N3OS — CID 116568454

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)C1CCNC1
InChIInChI=1S/C11H13N3OS/c15-10(8-1-2-12-6-8)5-9-7-14-3-4-16-11(14)13-9/h3-4,7-8,12H,1-2,5-6H2
InChIKeyCORZMIRVIOVFNL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.12
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone (PubChem CID 116568454) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
PubChem CID116568454
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)C1CCNC1
InChIInChI=1S/C11H13N3OS/c15-10(8-1-2-12-6-8)5-9-7-14-3-4-16-11(14)13-9/h3-4,7-8,12H,1-2,5-6H2
InChIKeyCORZMIRVIOVFNL-UHFFFAOYSA-N
XLogP1.12
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-morpholin-2-ylethanone
CID 116561830
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-piperidin-4-yloxypropan-2-one
CID 116571205
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
CID 115791904
1-(2-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116580040
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
1-(1,4-diazepan-1-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116565662

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone (CID 116568454) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone is O=C(Cc1cn2ccsc2n1)C1CCNC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone?
The InChIKey is CORZMIRVIOVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-10(8-1-2-12-6-8)5-9-7-14-3-4-16-11(14)13-9/h3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone has a molecular weight of 235.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 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-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116568454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).