ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate

C16H16N2O2S — CID 118716427

IUPACethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(CC)cc3)n12
InChIInChI=1S/C16H16N2O2S/c1-3-11-5-7-12(8-6-11)14-10-21-16-17-9-13(18(14)16)15(19)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyDYBIHWXMPJVFLC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.80
Rot. Bonds4

About ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate

ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 118716427) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID118716427
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Nameethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(CC)cc3)n12
InChIInChI=1S/C16H16N2O2S/c1-3-11-5-7-12(8-6-11)14-10-21-16-17-9-13(18(14)16)15(19)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyDYBIHWXMPJVFLC-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 118716427) is ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1cnc2scc(-c3ccc(CC)cc3)n12.
What is the InChIKey of ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is DYBIHWXMPJVFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-11-5-7-12(8-6-11)14-10-21-16-17-9-13(18(14)16)15(19)20-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118716427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).