ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C13H12N4O2S — CID 81495842

IUPACethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cnccn3)cn2c1C
InChIInChI=1S/C13H12N4O2S/c1-3-19-12(18)11-8(2)17-7-10(16-13(17)20-11)9-6-14-4-5-15-9/h4-7H,3H2,1-2H3
InChIKeyQPMMIUJEQQOMOR-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.34
Rot. Bonds3

About ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 81495842) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID81495842
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Nameethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cnccn3)cn2c1C
InChIInChI=1S/C13H12N4O2S/c1-3-19-12(18)11-8(2)17-7-10(16-13(17)20-11)9-6-14-4-5-15-9/h4-7H,3H2,1-2H3
InChIKeyQPMMIUJEQQOMOR-UHFFFAOYSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 81495842) is ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3cnccn3)cn2c1C.
What is the InChIKey of ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is QPMMIUJEQQOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-3-19-12(18)11-8(2)17-7-10(16-13(17)20-11)9-6-14-4-5-15-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 81495842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).