methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate

C13H14N2O2S — CID 117135873

IUPACmethyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(C3CCSC3)nc12
InChIInChI=1S/C13H14N2O2S/c1-17-13(16)10-3-2-5-15-7-11(14-12(10)15)9-4-6-18-8-9/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyUAAAQVZVDDEWNK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.34
Rot. Bonds2

About methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117135873) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117135873
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(C3CCSC3)nc12
InChIInChI=1S/C13H14N2O2S/c1-17-13(16)10-3-2-5-15-7-11(14-12(10)15)9-4-6-18-8-9/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyUAAAQVZVDDEWNK-UHFFFAOYSA-N
XLogP2.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-piperidin-4-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117136001
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136382
8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine
CID 117135947
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
2-cyclopropylimidazo[1,2-a]pyridin-8-ol
CID 117137728
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117135873) is methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(C3CCSC3)nc12.
What is the InChIKey of methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is UAAAQVZVDDEWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-13(16)10-3-2-5-15-7-11(14-12(10)15)9-4-6-18-8-9/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117135873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).