2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one

C11H12N2OS — CID 117131785

IUPAC2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCS3)cn12
InChIInChI=1S/C11H12N2OS/c14-11-5-1-4-10-12-8(7-13(10)11)9-3-2-6-15-9/h1,4-5,7,9,12H,2-3,6H2
InChIKeyIUVNMBNOZUHCIT-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.20
Rot. Bonds1

About 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one

2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117131785) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117131785
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCS3)cn12
InChIInChI=1S/C11H12N2OS/c14-11-5-1-4-10-12-8(7-13(10)11)9-3-2-6-15-9/h1,4-5,7,9,12H,2-3,6H2
InChIKeyIUVNMBNOZUHCIT-UHFFFAOYSA-N
XLogP2.20
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117131785) is 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(C3CCCS3)cn12.
What is the InChIKey of 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is IUVNMBNOZUHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-11-5-1-4-10-12-8(7-13(10)11)9-3-2-6-15-9/h1,4-5,7,9,12H,2-3,6H2.
What are the key properties of 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 220.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117131785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).