2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol

C12H14N2O3S — CID 117129650

IUPAC2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCCCC1c1cn2cc(O)ccc2n1
InChIInChI=1S/C12H14N2O3S/c15-9-4-5-12-13-10(8-14(12)7-9)11-3-1-2-6-18(11,16)17/h4-5,7-8,11,15H,1-3,6H2
InChIKeyYROSZORJBABKMX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.68
Rot. Bonds1

About 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol

2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol (PubChem CID 117129650) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
PubChem CID117129650
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
SMILESO=S1(=O)CCCCC1c1cn2cc(O)ccc2n1
InChIInChI=1S/C12H14N2O3S/c15-9-4-5-12-13-10(8-14(12)7-9)11-3-1-2-6-18(11,16)17/h4-5,7-8,11,15H,1-3,6H2
InChIKeyYROSZORJBABKMX-UHFFFAOYSA-N
XLogP1.68
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol?
The IUPAC name of 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol (CID 117129650) is 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol is O=S1(=O)CCCCC1c1cn2cc(O)ccc2n1.
What is the InChIKey of 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol?
The InChIKey is YROSZORJBABKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-9-4-5-12-13-10(8-14(12)7-9)11-3-1-2-6-18(11,16)17/h4-5,7-8,11,15H,1-3,6H2.
What are the key properties of 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol?
2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol has a molecular weight of 266.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 117129650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).