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

C14H11ClN2O2S — CID 118716429

IUPACethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C14H11ClN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyLWPAFQWKJRABPS-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.89
Rot. Bonds3

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

ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 118716429) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID118716429
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Nameethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C14H11ClN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyLWPAFQWKJRABPS-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 118716429) is ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1cnc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is LWPAFQWKJRABPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 306.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118716429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).