2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol

C13H16N2OS — CID 117129235

IUPAC2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
SMILESOc1ccc2nc(CC3CCSCC3)cn2c1
InChIInChI=1S/C13H16N2OS/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyIMUOXSBDHJTXIC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.73
Rot. Bonds2

About 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol

2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol (PubChem CID 117129235) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
PubChem CID117129235
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
SMILESOc1ccc2nc(CC3CCSCC3)cn2c1
InChIInChI=1S/C13H16N2OS/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyIMUOXSBDHJTXIC-UHFFFAOYSA-N
XLogP2.73
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129093
[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129046
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
2-(2-hydroxyethyl)imidazo[1,2-a]pyridin-6-ol
CID 115015092
2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129838
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117130489
7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117236324
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102
2-pyrrolidin-2-ylimidazo[1,2-a]pyridin-6-ol
CID 115022960

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol?
The IUPAC name of 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol (CID 117129235) is 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol is Oc1ccc2nc(CC3CCSCC3)cn2c1.
What is the InChIKey of 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol?
The InChIKey is IMUOXSBDHJTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-12-1-2-13-14-11(8-15(13)9-12)7-10-3-5-17-6-4-10/h1-2,8-10,16H,3-7H2.
What are the key properties of 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol?
2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol has a molecular weight of 248.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 117129235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).