2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one

C12H14N2OS — CID 117134296

IUPAC2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(C3CCCCS3)[nH]c2c1
InChIInChI=1S/C12H14N2OS/c15-9-4-5-14-8-10(13-12(14)7-9)11-3-1-2-6-16-11/h4-5,7-8,11,13H,1-3,6H2
InChIKeyXJADNAZKQJNSAV-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.59
Rot. Bonds1

About 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one

2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one (PubChem CID 117134296) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one.

Molecular Properties

Compound Name2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one
PubChem CID117134296
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one
SMILESO=c1ccn2cc(C3CCCCS3)[nH]c2c1
InChIInChI=1S/C12H14N2OS/c15-9-4-5-14-8-10(13-12(14)7-9)11-3-1-2-6-16-11/h4-5,7-8,11,13H,1-3,6H2
InChIKeyXJADNAZKQJNSAV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one?
The IUPAC name of 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one (CID 117134296) is 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one.
What is the SMILES notation for 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one?
The canonical SMILES for 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one is O=c1ccn2cc(C3CCCCS3)[nH]c2c1.
What is the InChIKey of 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one?
The InChIKey is XJADNAZKQJNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-9-4-5-14-8-10(13-12(14)7-9)11-3-1-2-6-16-11/h4-5,7-8,11,13H,1-3,6H2.
What are the key properties of 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one?
2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one has a molecular weight of 234.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-yl)-1H-imidazo[1,2-a]pyridin-7-one is sourced from PubChem (CID 117134296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).