4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

C15H16N2O3S — CID 80655203

IUPAC4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCc1cc(-c2cn3c(CCCC(=O)O)csc3n2)c(C)o1
InChIInChI=1S/C15H16N2O3S/c1-9-6-12(10(2)20-9)13-7-17-11(4-3-5-14(18)19)8-21-15(17)16-13/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyRGDFJWQRPMOORA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.68
Rot. Bonds5

About 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid

4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (PubChem CID 80655203) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
PubChem CID80655203
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
SMILESCc1cc(-c2cn3c(CCCC(=O)O)csc3n2)c(C)o1
InChIInChI=1S/C15H16N2O3S/c1-9-6-12(10(2)20-9)13-7-17-11(4-3-5-14(18)19)8-21-15(17)16-13/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyRGDFJWQRPMOORA-UHFFFAOYSA-N
XLogP3.68
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid with MolForge

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Related Compounds

4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655201
4-[6-(5-chlorothiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80661712
4-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 107508269
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496957
4-(6-ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
CID 80661514
3-[6-(methoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid
CID 107508384
2-[6-(5-ethylthiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 61334961
3-(6-cyclopentylimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
CID 113449070
2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 43464903
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
4-(13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaen-11-yl)butanoic acid
CID 80656370

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The IUPAC name of 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid (CID 80655203) is 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The canonical SMILES for 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is Cc1cc(-c2cn3c(CCCC(=O)O)csc3n2)c(C)o1.
What is the InChIKey of 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
The InChIKey is RGDFJWQRPMOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-6-12(10(2)20-9)13-7-17-11(4-3-5-14(18)19)8-21-15(17)16-13/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid?
4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-dimethylfuran-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid is sourced from PubChem (CID 80655203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).