2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C13H12N2O2S2 — CID 61334961

IUPAC2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCc1ccc(-c2cn3c(CC(=O)O)csc3n2)s1
InChIInChI=1S/C13H12N2O2S2/c1-2-9-3-4-11(19-9)10-6-15-8(5-12(16)17)7-18-13(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,16,17)
InChIKeyUELNZUSJZFNOMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.31
Rot. Bonds4

About 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 61334961) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID61334961
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCc1ccc(-c2cn3c(CC(=O)O)csc3n2)s1
InChIInChI=1S/C13H12N2O2S2/c1-2-9-3-4-11(19-9)10-6-15-8(5-12(16)17)7-18-13(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,16,17)
InChIKeyUELNZUSJZFNOMU-UHFFFAOYSA-N
XLogP3.31
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 43464903
2-[6-(2,3-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 103695141
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 104752238
10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086221
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
ethyl 2-[6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 43464958
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524211
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
CID 121038352
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 61334961) is 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is CCc1ccc(-c2cn3c(CC(=O)O)csc3n2)s1.
What is the InChIKey of 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is UELNZUSJZFNOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-2-9-3-4-11(19-9)10-6-15-8(5-12(16)17)7-18-13(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 61334961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).