ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate

C12H13ClN2O2S — CID 4122247

IUPACethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN2O2S/c1-2-17-12(16)8-18-7-10-6-15-5-9(13)3-4-11(15)14-10/h3-6H,2,7-8H2,1H3
InChIKeyKWKJKBYNPUKKSX-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate

ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate (PubChem CID 4122247) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate
PubChem CID4122247
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Nameethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H13ClN2O2S/c1-2-17-12(16)8-18-7-10-6-15-5-9(13)3-4-11(15)14-10/h3-6H,2,7-8H2,1H3
InChIKeyKWKJKBYNPUKKSX-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 3214182
propan-2-yl [(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate
CID 665823
6-Chloro-2-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-imidazo[1,2-a]pyridine
CID 2818406
2-(((6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl)thio)acetic acid
CID 4262836
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
CID 747966
Ethoxy[({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 1279828
2-[[(4-Chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine
CID 2967628
6-Chloro-2-(phenylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3586710
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propanoic acid
CID 4280898
Ethoxy[({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 4446749
6-Chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
CID 4564792
methyl [(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetate
CID 665073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate (CID 4122247) is ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate?
The InChIKey is KWKJKBYNPUKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-2-17-12(16)8-18-7-10-6-15-5-9(13)3-4-11(15)14-10/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate?
ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate has a molecular weight of 284.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetate is sourced from PubChem (CID 4122247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).