ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate

C10H12N2O2S2 — CID 23190031

IUPACethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(SCC)nc2sccn12
InChIInChI=1S/C10H12N2O2S2/c1-3-14-9(13)7-8(15-4-2)11-10-12(7)5-6-16-10/h5-6H,3-4H2,1-2H3
InChIKeyYSYJDWVEABRNDJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.68
Rot. Bonds4

About ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate

ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 23190031) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID23190031
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Nameethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(SCC)nc2sccn12
InChIInChI=1S/C10H12N2O2S2/c1-3-14-9(13)7-8(15-4-2)11-10-12(7)5-6-16-10/h5-6H,3-4H2,1-2H3
InChIKeyYSYJDWVEABRNDJ-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 23190031) is ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1c(SCC)nc2sccn12.
What is the InChIKey of ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is YSYJDWVEABRNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-3-14-9(13)7-8(15-4-2)11-10-12(7)5-6-16-10/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethylsulfanylimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 23190031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).