ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate

C13H16N2O2S — CID 511753

IUPACethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1cnc2cc(C)ccn12
InChIInChI=1S/C13H16N2O2S/c1-3-17-13(16)9-18-8-11-7-14-12-6-10(2)4-5-15(11)12/h4-7H,3,8-9H2,1-2H3
InChIKeyLAIWFDISSUAQMM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.44
Rot. Bonds5

About ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate

ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate (PubChem CID 511753) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate
PubChem CID511753
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1cnc2cc(C)ccn12
InChIInChI=1S/C13H16N2O2S/c1-3-17-13(16)9-18-8-11-7-14-12-6-10(2)4-5-15(11)12/h4-7H,3,8-9H2,1-2H3
InChIKeyLAIWFDISSUAQMM-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate (CID 511753) is ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1cnc2cc(C)ccn12.
What is the InChIKey of ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate?
The InChIKey is LAIWFDISSUAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-17-13(16)9-18-8-11-7-14-12-6-10(2)4-5-15(11)12/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate?
ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate has a molecular weight of 264.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]acetate is sourced from PubChem (CID 511753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).