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

C15H14N2O2S — CID 118716422

IUPACethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(C)cc3)n12
InChIInChI=1S/C15H14N2O2S/c1-3-19-14(18)12-8-16-15-17(12)13(9-20-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyOAFPVSDIUFLODZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.55
Rot. Bonds3

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

ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 118716422) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID118716422
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Nameethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(C)cc3)n12
InChIInChI=1S/C15H14N2O2S/c1-3-19-14(18)12-8-16-15-17(12)13(9-20-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyOAFPVSDIUFLODZ-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 118716422) is ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1cnc2scc(-c3ccc(C)cc3)n12.
What is the InChIKey of ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is OAFPVSDIUFLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-14(18)12-8-16-15-17(12)13(9-20-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118716422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).