ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C15H16N2O2S2 — CID 81496961

IUPACethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(CC)s3)cn2c1C
InChIInChI=1S/C15H16N2O2S2/c1-4-10-6-7-12(20-10)11-8-17-9(3)13(14(18)19-5-2)21-15(17)16-11/h6-8H,4-5H2,1-3H3
InChIKeyKHOAASAEKWZVAO-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.17
Rot. Bonds4

About ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 81496961) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID81496961
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Nameethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(CC)s3)cn2c1C
InChIInChI=1S/C15H16N2O2S2/c1-4-10-6-7-12(20-10)11-8-17-9(3)13(14(18)19-5-2)21-15(17)16-11/h6-8H,4-5H2,1-3H3
InChIKeyKHOAASAEKWZVAO-UHFFFAOYSA-N
XLogP4.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 81496961) is ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(CC)s3)cn2c1C.
What is the InChIKey of ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is KHOAASAEKWZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-4-10-6-7-12(20-10)11-8-17-9(3)13(14(18)19-5-2)21-15(17)16-11/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 81496961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).