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

C12H14N2O3S — CID 117131906

IUPAC2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCCS3(=O)=O)cn12
InChIInChI=1S/C12H14N2O3S/c15-12-6-3-5-11-13-9(8-14(11)12)10-4-1-2-7-18(10,16)17/h3,5-6,8,10,13H,1-2,4,7H2
InChIKeyYXZCHAPTFPGQMK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.27
Rot. Bonds1

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

2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117131906) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117131906
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCCS3(=O)=O)cn12
InChIInChI=1S/C12H14N2O3S/c15-12-6-3-5-11-13-9(8-14(11)12)10-4-1-2-7-18(10,16)17/h3,5-6,8,10,13H,1-2,4,7H2
InChIKeyYXZCHAPTFPGQMK-UHFFFAOYSA-N
XLogP1.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117131906) is 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(C3CCCCS3(=O)=O)cn12.
What is the InChIKey of 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is YXZCHAPTFPGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-12-6-3-5-11-13-9(8-14(11)12)10-4-1-2-7-18(10,16)17/h3,5-6,8,10,13H,1-2,4,7H2.
What are the key properties of 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 266.32 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117131906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).