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

C8H8N2O2S — CID 82399636

IUPAC3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
SMILESO=C(O)CCc1cn2ccnc2s1
InChIInChI=1S/C8H8N2O2S/c11-7(12)2-1-6-5-10-4-3-9-8(10)13-6/h3-5H,1-2H2,(H,11,12)
InChIKeyHACQNHGKASBVML-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.41
Rot. Bonds3

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

3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid (PubChem CID 82399636) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
PubChem CID82399636
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
SMILESO=C(O)CCc1cn2ccnc2s1
InChIInChI=1S/C8H8N2O2S/c11-7(12)2-1-6-5-10-4-3-9-8(10)13-6/h3-5H,1-2H2,(H,11,12)
InChIKeyHACQNHGKASBVML-UHFFFAOYSA-N
XLogP1.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
CID 82409719
N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide
CID 83879846
2-bromoimidazo[2,1-b][1,3]thiazole
CID 45158653
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
CID 22326481
2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
CID 146140550
3-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82424704
3-[4-(6-methylimidazo[1,2-a]pyridin-8-yl)phenyl]propanoic acid
CID 167931434
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid (CID 82399636) is 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid is O=C(O)CCc1cn2ccnc2s1.
What is the InChIKey of 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid?
The InChIKey is HACQNHGKASBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-7(12)2-1-6-5-10-4-3-9-8(10)13-6/h3-5H,1-2H2,(H,11,12).
What are the key properties of 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid?
3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid has a molecular weight of 196.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid is sourced from PubChem (CID 82399636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).