ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C17H18N2O3S — CID 19224535

IUPACethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OCC)cc3)cn2c1C
InChIInChI=1S/C17H18N2O3S/c1-4-21-13-8-6-12(7-9-13)14-10-19-11(3)15(16(20)22-5-2)23-17(19)18-14/h6-10H,4-5H2,1-3H3
InChIKeyAUJHCRBOVJKOBO-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.95
Rot. Bonds5

About ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 19224535) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID19224535
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Nameethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(OCC)cc3)cn2c1C
InChIInChI=1S/C17H18N2O3S/c1-4-21-13-8-6-12(7-9-13)14-10-19-11(3)15(16(20)22-5-2)23-17(19)18-14/h6-10H,4-5H2,1-3H3
InChIKeyAUJHCRBOVJKOBO-UHFFFAOYSA-N
XLogP3.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 170609694
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496957
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81494571
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030728
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
N-(4-ethoxyphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348992

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 19224535) is ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(OCC)cc3)cn2c1C.
What is the InChIKey of ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is AUJHCRBOVJKOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-4-21-13-8-6-12(7-9-13)14-10-19-11(3)15(16(20)22-5-2)23-17(19)18-14/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 19224535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).