methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C11H12N2O2S — CID 117256159

IUPACmethyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CSC)cn2c1
InChIInChI=1S/C11H12N2O2S/c1-15-11(14)8-3-4-10-12-9(7-16-2)6-13(10)5-8/h3-6H,7H2,1-2H3
InChIKeyWXZRLWIWERPORO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117256159) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117256159
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CSC)cn2c1
InChIInChI=1S/C11H12N2O2S/c1-15-11(14)8-3-4-10-12-9(7-16-2)6-13(10)5-8/h3-6H,7H2,1-2H3
InChIKeyWXZRLWIWERPORO-UHFFFAOYSA-N
XLogP1.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
methyl 2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117130150
methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate
CID 175739428
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
2-ethylimidazo[1,2-a]pyridine-6-carboxamide;methanesulfonic acid
CID 87830909
methyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 131340084
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 59273999
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 117256159) is methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(CSC)cn2c1.
What is the InChIKey of methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is WXZRLWIWERPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-11(14)8-3-4-10-12-9(7-16-2)6-13(10)5-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 117256159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).