2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one

C12H14N2OS — CID 117131397

IUPAC2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(CC3CCSC3)cn12
InChIInChI=1S/C12H14N2OS/c15-12-3-1-2-11-13-10(7-14(11)12)6-9-4-5-16-8-9/h1-3,7,9,13H,4-6,8H2
InChIKeyVMCACAHMSNDYAJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.92
Rot. Bonds2

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

2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117131397) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117131397
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(CC3CCSC3)cn12
InChIInChI=1S/C12H14N2OS/c15-12-3-1-2-11-13-10(7-14(11)12)6-9-4-5-16-8-9/h1-3,7,9,13H,4-6,8H2
InChIKeyVMCACAHMSNDYAJ-UHFFFAOYSA-N
XLogP1.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117131397) is 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(CC3CCSC3)cn12.
What is the InChIKey of 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is VMCACAHMSNDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-3-1-2-11-13-10(7-14(11)12)6-9-4-5-16-8-9/h1-3,7,9,13H,4-6,8H2.
What are the key properties of 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 234.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117131397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).