3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine

C11H14N2S — CID 511741

IUPAC3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCSCc1cnc2cc(C)ccn12
InChIInChI=1S/C11H14N2S/c1-3-14-8-10-7-12-11-6-9(2)4-5-13(10)11/h4-7H,3,8H2,1-2H3
InChIKeyIBDRTDXVRWKZDL-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.90
Rot. Bonds3

About 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine

3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 511741) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID511741
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
SMILESCCSCc1cnc2cc(C)ccn12
InChIInChI=1S/C11H14N2S/c1-3-14-8-10-7-12-11-6-9(2)4-5-13(10)11/h4-7H,3,8H2,1-2H3
InChIKeyIBDRTDXVRWKZDL-UHFFFAOYSA-N
XLogP2.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine (CID 511741) is 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine is CCSCc1cnc2cc(C)ccn12.
What is the InChIKey of 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is IBDRTDXVRWKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-14-8-10-7-12-11-6-9(2)4-5-13(10)11/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine?
3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 206.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 511741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).