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

C15H16N2O3S — CID 82062345

IUPAC2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCC(C)(C)c1csc2nc(-c3ccco3)c(CC(=O)O)n12
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)11-8-21-14-16-13(10-5-4-6-20-10)9(17(11)14)7-12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyORKNGZSSHCYOQA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.58
Rot. Bonds3

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

2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (PubChem CID 82062345) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
PubChem CID82062345
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESCC(C)(C)c1csc2nc(-c3ccco3)c(CC(=O)O)n12
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)11-8-21-14-16-13(10-5-4-6-20-10)9(17(11)14)7-12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyORKNGZSSHCYOQA-UHFFFAOYSA-N
XLogP3.58
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382
2-[6-(furan-2-yl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062379
ethyl 2-[5-amino-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 82068757
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[3-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 82035969
2-[3-benzyl-5-(furan-2-yl)triazol-4-yl]acetic acid
CID 174977878
3-(4-ethylphenyl)-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216173
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
2-[6-(furan-2-yl)-2-methyl-1H-imidazo[1,2-a]imidazol-3-yl]acetic acid
CID 82385288
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (CID 82062345) is 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is CC(C)(C)c1csc2nc(-c3ccco3)c(CC(=O)O)n12.
What is the InChIKey of 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The InChIKey is ORKNGZSSHCYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,3)11-8-21-14-16-13(10-5-4-6-20-10)9(17(11)14)7-12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid has a molecular weight of 304.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is sourced from PubChem (CID 82062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).