2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one

C12H14N2OS — CID 117131654

IUPAC2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCSC3)cn12
InChIInChI=1S/C12H14N2OS/c15-12-5-1-4-11-13-10(7-14(11)12)9-3-2-6-16-8-9/h1,4-5,7,9,13H,2-3,6,8H2
InChIKeyGCYKXRIMIMBDOW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.24
Rot. Bonds1

About 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one

2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117131654) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117131654
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCCSC3)cn12
InChIInChI=1S/C12H14N2OS/c15-12-5-1-4-11-13-10(7-14(11)12)9-3-2-6-16-8-9/h1,4-5,7,9,13H,2-3,6,8H2
InChIKeyGCYKXRIMIMBDOW-UHFFFAOYSA-N
XLogP2.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117131654) is 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(C3CCCSC3)cn12.
What is the InChIKey of 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is GCYKXRIMIMBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-5-1-4-11-13-10(7-14(11)12)9-3-2-6-16-8-9/h1,4-5,7,9,13H,2-3,6,8H2.
What are the key properties of 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 234.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-3-yl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117131654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).