3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C12H10N2O2S2 — CID 82035810

IUPAC3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3cccs3)cn12
InChIInChI=1S/C12H10N2O2S2/c1-2-8-10(11(15)16)18-12-13-7(6-14(8)12)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,15,16)
InChIKeyUSLSIQRJBCUSQF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.38
Rot. Bonds3

About 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035810) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035810
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3cccs3)cn12
InChIInChI=1S/C12H10N2O2S2/c1-2-8-10(11(15)16)18-12-13-7(6-14(8)12)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,15,16)
InChIKeyUSLSIQRJBCUSQF-UHFFFAOYSA-N
XLogP3.38
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035810) is 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1c(C(=O)O)sc2nc(-c3cccs3)cn12.
What is the InChIKey of 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is USLSIQRJBCUSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c1-2-8-10(11(15)16)18-12-13-7(6-14(8)12)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).