3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate

C8H7N2O2S- — CID 91884818

IUPAC3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCc1csc2nc(C(=O)[O-])cn12
InChIInChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)/p-1
InChIKeyCTFKAWCRHKRICT-UHFFFAOYSA-M
MW195.22 g/mol
LogP0.32
Rot. Bonds2

About 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate

3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 91884818) has the molecular formula C8H7N2O2S- and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Name3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID91884818
Molecular FormulaC8H7N2O2S-
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCc1csc2nc(C(=O)[O-])cn12
InChIInChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)/p-1
InChIKeyCTFKAWCRHKRICT-UHFFFAOYSA-M
XLogP0.32
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 67639380
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 61334961
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3592722
3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 107508384
2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-propylacetamide
CID 60699918
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
CID 125474072
2-[(1R)-1-azaniumylethyl]-1,3-thiazole-4-carboxylate
CID 42251579
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407

Frequently Asked Questions

What is the IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 91884818) is 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate is CCc1csc2nc(C(=O)[O-])cn12.
What is the InChIKey of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is CTFKAWCRHKRICT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O2S/c1-2-5-4-13-8-9-6(7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)/p-1.
What are the key properties of 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 91884818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).