ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C15H16N2O3S — CID 81496957

IUPACethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cc(C)oc3C)cn2c1C
InChIInChI=1S/C15H16N2O3S/c1-5-19-14(18)13-9(3)17-7-12(16-15(17)21-13)11-6-8(2)20-10(11)4/h6-7H,5H2,1-4H3
InChIKeyNUHYTLKISWOBDW-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.76
Rot. Bonds3

About ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 81496957) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID81496957
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cc(C)oc3C)cn2c1C
InChIInChI=1S/C15H16N2O3S/c1-5-19-14(18)13-9(3)17-7-12(16-15(17)21-13)11-6-8(2)20-10(11)4/h6-7H,5H2,1-4H3
InChIKeyNUHYTLKISWOBDW-UHFFFAOYSA-N
XLogP3.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 81496957) is ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3cc(C)oc3C)cn2c1C.
What is the InChIKey of ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is NUHYTLKISWOBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-5-19-14(18)13-9(3)17-7-12(16-15(17)21-13)11-6-8(2)20-10(11)4/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 81496957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).