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

C15H13ClN2O2S — CID 675509

IUPACethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cn2c1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-14(19)13-9(2)18-8-12(17-15(18)21-13)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3
InChIKeyYFNCGPQYXBBORA-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.20
Rot. Bonds3

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

ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 675509) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID675509
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Nameethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cn2c1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-14(19)13-9(2)18-8-12(17-15(18)21-13)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3
InChIKeyYFNCGPQYXBBORA-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 675509) is ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cn2c1C.
What is the InChIKey of ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is YFNCGPQYXBBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-3-20-14(19)13-9(2)18-8-12(17-15(18)21-13)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 320.80 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 675509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).