2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride

C8H9ClN2O2S — CID 53444457

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cn2ccsc2n1.Cl
InChIInChI=1S/C8H8N2O2S.ClH/c1-5(7(11)12)6-4-10-2-3-13-8(10)9-6;/h2-5H,1H3,(H,11,12);1H
InChIKeyFFUHKELFVFOZGW-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.01
Rot. Bonds2

About 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride

2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride (PubChem CID 53444457) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
PubChem CID53444457
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cn2ccsc2n1.Cl
InChIInChI=1S/C8H8N2O2S.ClH/c1-5(7(11)12)6-4-10-2-3-13-8(10)9-6;/h2-5H,1H3,(H,11,12);1H
InChIKeyFFUHKELFVFOZGW-UHFFFAOYSA-N
XLogP2.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid
CID 51674828
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylacetamide
CID 118773641
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182
2-(1-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)isoindole-1,3-dione
CID 68761163
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propanoic acid
CID 104571144
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91764898
6-chloroimidazo[2,1-b][1,3]thiazole;ethane
CID 91008654

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride (CID 53444457) is 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride is CC(C(=O)O)c1cn2ccsc2n1.Cl.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride?
The InChIKey is FFUHKELFVFOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S.ClH/c1-5(7(11)12)6-4-10-2-3-13-8(10)9-6;/h2-5H,1H3,(H,11,12);1H.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride?
2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 53444457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).